SCHEMBL9637460

SCHEMBL9637460

C=CCc1ccc(-c2ccc(C#N)cc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.53
KDM1A O60341 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
MLNR O43193 1/20 0.41
RAB9A P51151 4/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL10586609 0.91 CYP11B1 (0.48) CYP11B1KDM1AL3MBTL1KDM4EALDH1A1
SCHEMBL4890255 0.91 L3MBTL1 (0.50) CYP11B1KDM1AL3MBTL1KDM4EALDH1A1
SCHEMBL9805327 0.88 CYP11B1 (0.51) CYP11B1KDM1AL3MBTL1KDM4EALDH1A1
SCHEMBL9805468 0.86 CYP11B1 (0.49) CYP11B1KDM1AL3MBTL1KDM4EALDH1A1
SCHEMBL10430617 0.83 CYP11B1 (0.57) CYP11B1KDM1AALDH1A1MLNRCYP1A2
SCHEMBL9743680 0.81 CYP1A2 (0.38) CYP11B1KDM4EALDH1A1HPGDCYP1A2
SCHEMBL398890 0.81 CYP11B1 (0.58) CYP11B1KDM1AL3MBTL1KDM4EALDH1A1
SCHEMBL7779660 0.80 TSHR (0.47) ALDH1A1CYP1A2POLBCYP3A4CYP2C9
SCHEMBL2352483 0.80 TSHR (0.47) ALDH1A1CYP1A2POLBCYP3A4CYP2C9
SCHEMBL2304494 0.80 SMN1; SMN2 (0.58) CYP11B1KDM1AL3MBTL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1066286-A None JP disclosed
EP-0306917-B1 A NEMATIC LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1992-06-17 EP disclosed
EP-0374849-A2 Liquid-crystal derivatives of nitrogen-containing heterocyclic compounds as components of a liquid-crystal material, and a liquid-crystal material PAVLJUCHENKO, Assya Iosifovna (RU) 1990-06-27 EP disclosed
US-4917818-A STEEP VOLTAGE TRANSMITTANCE USED IN WATCHES, ELECTRONIC CALCULATORS CHISSO CORPORATION (JP) 1990-04-17 US disclosed
JP-S6466286-A NEMATIC LIQUID CRYSTAL COMPOSITION CHISSO CORP 1989-03-13 JP disclosed