SCHEMBL9224973

SCHEMBL9224973

CC1(C)Oc2ccc(C#N)cc2C(N(CC(=O)O)c2ccc(F)cc2)C1O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
KCNE1 P15382 4/20 0.56
KCNQ1 P51787 4/20 0.56
CYP3A4 P08684 2/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
KCND3 Q9UK17 1/20 0.56
ABCC8 Q09428 1/20 0.56
KCNJ11 Q14654 1/20 0.56
ABCB1 P08183 10/20 0.55
ALOX15 P16050 1/20 0.54

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
SCHEMBL8609660 1.00 KDM4E (0.59) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL8611162 0.91 KDM4E (0.62) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL8611179 0.91 KDM4E (0.62) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL8615116 0.91 KDM4E (0.62) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL8641940 0.91 KDM4E (0.62) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL9229335 0.90 ABCC8 (0.68) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL8613564 0.90 ABCC8 (0.68) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL8614101 0.88 KDM4E (0.54) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL9230241 0.88 KDM4E (0.54) KDM4EKCNE1KCNQ1CYP3A4MEN1
SCHEMBL9230884 0.86 ABCB1 (0.56) KDM4EKCNE1KCNQ1CYP3A4MEN1

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-0648758-A1 4-Arylamino-benzopyran and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-04-19 EP claimed
EP-0648758-A1 4-Arylamino-benzopyran and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-04-19 EP disclosed