SCHEMBL8553716

SCHEMBL8553716

CCC([C]=O)=Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
AKR1C3 P42330 1/20 0.44
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.42
MCL1 Q07820 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
FBP1 P09467 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
AKR1C1 Q04828 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4664314 0.83 LMNA (0.54) MEN1KMT2AALDH1A1TSHRAKR1C3
SCHEMBL2534838 0.82 LMNA (0.61) MEN1KMT2AALDH1A1TSHRNR1I2
SCHEMBL7625514 0.82 MCL1 (0.43) MEN1KMT2AALDH1A1TSHRAKR1C3
SCHEMBL10187523 0.80 MCL1 (0.50) KDM1AMEN1KMT2AALDH1A1TSHR
SCHEMBL18192045 0.80 MCL1 (0.50) KDM1AMEN1KMT2AALDH1A1TSHR
SCHEMBL14604980 0.80 MCL1 (0.50) KDM1AMEN1KMT2AALDH1A1TSHR
SCHEMBL9764639 0.78 CYP3A4 (0.55) MEN1KMT2AALDH1A1TSHRAKR1C3
SCHEMBL14690678 0.77 KEAP1 (0.48) ALDH1A1LMNAMCL1TDP1CYP3A4
SCHEMBL10492917 0.77 MCL1 (0.40) MEN1KMT2AALDH1A1TSHRAKR1C3
SCHEMBL7659594 0.76 MCL1 (0.46) KDM1AMEN1KMT2AALDH1A1TSHR

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
EP-0879233-A1 CHINOLINE AND BENZIMIDAZOLE DERIVATIVES AS BRADYKININ AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-25 EP disclosed
WO-1997028153-A1 CHINOLINE AND BENZIMIDAZOLE DERIVATIVES AS BRADYKININ AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-07 WO disclosed