SCHEMBL11291196

SCHEMBL11291196

COc1ccc(CCc2nc(C)c[nH]2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.50
ATM Q13315 2/20 0.49
KDM4E B2RXH2 1/20 0.49
STAT3 P40763 1/20 0.47
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CA2 P00918 1/20 0.46
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
LMNA P02545 2/20 0.45
DAO P14920 1/20 0.45
TSHR P16473 1/20 0.45
AOC3 Q16853 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 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
SCHEMBL11293832 0.88 CA2 (0.58) ATMKDM4EPOLBCYP1A2CYP3A4
SCHEMBL31157848 0.77 CYP19A1 (0.77) CYP19A1ATMKDM4ESTAT3POLB
SCHEMBL16641094 0.77 CYP19A1 (0.77) CYP19A1ATMKDM4ESTAT3POLB
SCHEMBL11292976 0.76 ALOX15 (0.46) KDM4ECYP1A2CYP2D6BLMPMP22
SCHEMBL10335393 0.75 CYP19A1 (0.81) CYP19A1ATMKDM4ESTAT3POLB
SCHEMBL11291865 0.75 CYP19A1 (0.51) CYP19A1ATMKDM4EPOLBCYP1A2
SCHEMBL10738811 0.71 CYP19A1 (0.50) CYP19A1ATMKDM4EPOLBCYP1A2
SCHEMBL20106695 0.70 POLB (0.78) KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL10905429 0.70 LTA4H (0.47) ATMKDM4ECYP2D6LMNASMN1; SMN2
SCHEMBL30869991 0.69 ATM (0.70) CYP19A1ATMKDM4ESTAT3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0064820-A1 Substituted imidazole and imidazoline derivatives and their preparation and use Farmos-Yhtyma Oy (FI) 1982-11-17 EP disclosed