SCHEMBL7267666

SCHEMBL7267666

CC1=C(C#N)C(c2ccc(C)cc2)C(C(=O)O)=C(C)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
POLB P06746 2/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 9/20 0.46
ALDH1A1 P00352 9/20 0.45
MAPT P10636 6/20 0.45
HSD17B10 Q99714 5/20 0.45
ALOX15 P16050 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
PRNP P04156 1/20 0.45
ALOX12 P18054 1/20 0.45
BRCA1 P38398 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 3/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43

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
SCHEMBL27541931 0.84 CACNA1B (0.49) LMNAPOLBGAAKDM4EALDH1A1
SCHEMBL7820657 0.84 KDM4E (0.61) POLBGAAKDM4EALDH1A1MAPT
SCHEMBL5449336 0.82 LMNA (0.42) LMNAPOLBGAAKDM4EALDH1A1
SCHEMBL7807153 0.82 MAPT (0.48) LMNAPOLBGAAKDM4EALDH1A1
SCHEMBL7479725 0.80 POLB (0.47) LMNAPOLBGAAKDM4EALDH1A1
SCHEMBL7273476 0.80 CACNA1F (0.53) LMNAPOLBGAAKDM4EALDH1A1
SCHEMBL7817348 0.79 MET (0.59) LMNAPOLBGAAKDM4EALDH1A1
SCHEMBL7265857 0.79 CACNA1B (0.53) LMNAPOLBGAA
SCHEMBL7265923 0.77 ALDH1A1 (0.58) LMNAPOLBGAAKDM4EALDH1A1
SCHEMBL10891614 0.76 ADORA3 (0.64) LMNAPOLBGAAKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4920225-A Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1990-04-24 US disclosed
EP-0273349-A2 Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1988-07-06 EP disclosed