SCHEMBL9798121

SCHEMBL9798121

C=CCc1ccc(-c2ncc(C#N)cn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
POLB P06746 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 3/20 0.34
GAA P10253 3/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP11B1 P15538 5/20 0.34
CYP11B2 P19099 4/20 0.34
CYP19A1 P11511 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11212791 0.89 CYP1A2 (0.39) ALDH1A1CYP3A4SMN1; SMN2TP53TSHR
SCHEMBL9743680 0.87 CYP1A2 (0.38) ALDH1A1CYP3A4TSHRPOLBCYP1A2
SCHEMBL10637836 0.86 HRH3 (0.39) ALDH1A1POLBNPSR1KDM4EGAA
SCHEMBL10501329 0.84 CYP1A2 (0.37) CYP3A4POLBCYP1A2CYP2C9CYP2C19
SCHEMBL9638630 0.83 ALDH1A1 (0.42) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL4890255 0.81 L3MBTL1 (0.50) ALDH1A1CYP3A4SMN1; SMN2POLBCYP1A2
SCHEMBL9650616 0.81 POLB (0.44) ALDH1A1SMN1; SMN2TP53POLBCYP1A2
SCHEMBL8645132 0.81 SMN1; SMN2 (0.41) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL10501291 0.80 ALDH1A1 (0.40) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL7779660 0.79 TSHR (0.47) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240320-B1 PHENYLPYRIDINE DERIVATIVES Chisso Corporation (JP) 1991-02-27 EP disclosed
EP-0194153-B1 PYRIDINE DERIVATIVES Chisso Corporation (JP) 1990-10-31 EP disclosed
EP-0160790-B1 BIPYRIMIDINYL DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM Chisso Corporation (JP) 1989-08-16 EP disclosed
EP-0205340-B1 LIQUID CRYSTAL ESTER COMPOUND Chisso Corporation (JP) 1989-01-11 EP disclosed
US-4772416-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1988-09-20 US disclosed
EP-0151294-B1 2-SUBSTITUTED-6-(5-SUBSTITUTED-2-PYRIMIDINYL)NAPHTHALENES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME Chisso Corporation (JP) 1988-06-22 EP disclosed
EP-0240320-A2 Phenylpyridine derivatives Chisso Corporation (JP) 1987-10-07 EP disclosed
US-4684477-A LOW VISCOSITY, LOW VOLTAGE CHISSO CORPORATION (JP) 1987-08-04 US disclosed
US-4680137-A Liquid crystal ester compound CHISSO CORPORATION (JP) 1987-07-14 US disclosed
US-4659500-A Ester derivative having a positive dielectric anisotropy CHISSO CORPORATION (JP) 1987-04-21 US disclosed
US-4642199-A Novel liquid crystal compounds and liquid crystal compositions containing same CHISSO CORPORATION (JP) 1987-02-10 US disclosed
EP-0205340-A1 Liquid crystal ester compound Chisso Corporation (JP) 1986-12-17 EP disclosed
EP-0194153-A2 Pyridine derivatives Chisso Corporation (JP) 1986-09-10 EP disclosed
US-4609485-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1986-09-02 US disclosed
US-4585575-A LIQUID CRYSTALS HAVING LARGE VALUE OF OPTICAL ANISOTROPY CHISSO CORPORATION (JP) 1986-04-29 US disclosed
US-4576733-A 4-Halogenobenzoic acid esters CHISSO CORPORATION (JP) 1986-03-18 US disclosed
EP-0164721-A2 Novel liquid crystal compound and liquid crystal composition containing same Chisso Corporation (JP) 1985-12-18 EP disclosed
EP-0160790-A2 Bipyrimidinyl derivatives and liquid crystal compositions containing them Chisso Corporation (JP) 1985-11-13 EP disclosed
EP-0151294-A1 2-Substituted-6-(5-substituted-2-pyrimidinyl)naphthalenes and liquid crystal compositions containing the same Chisso Corporation (JP) 1985-08-14 EP disclosed