SCHEMBL3716747

SCHEMBL3716747

CCNc1ccc2nc(Oc3ccc(SC(C)C)cc3)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
BLM P54132 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ELANE P08246 1/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
SCN7A Q01118 2/20 0.31
KCNH2 Q12809 1/20 0.31
SCN9A Q15858 5/20 0.31
PDE4B Q07343 1/20 0.31
SRC P12931 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CDK6 Q00534 1/20 0.31

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
SCHEMBL3720187 0.84 MAPT (0.32) MAPTELANELMNACYP1A2CYP2C19
SCHEMBL3726852 0.84 P2RX3 (0.43) MAPTPOLBATMBLML3MBTL1
SCHEMBL3720475 0.84 HTT (0.37) MAPTPOLBATML3MBTL1LMNA
SCHEMBL3727694 0.84 MAPT (0.32) MAPTLMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL3720114 0.82 MAPT (0.46) MAPTPOLBELANELMNACYP2C19
SCHEMBL3717824 0.81 ALDH1A1 (0.45) MAPTPOLBATMBLML3MBTL1
SCHEMBL3720292 0.80 MAPT (0.41) MAPTLMNACYP1A2CYP2C19HIF1A
SCHEMBL3727136 0.78 MAPT (0.34) MAPTELANE
SCHEMBL3720633 0.77 SMN1; SMN2 (0.33) LMNACYP1A2CYP2C19SMN1; SMN2HIF1A
SCHEMBL3716750 0.77 CYP1A2 (0.35) LMNACYP1A2SMN1; SMN2SCN9A

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
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed