SCHEMBL3720187

SCHEMBL3720187

CCNc1ccc2nc(Oc3ccc(SC(C)C)cc3C)ccc2c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
LMNA P02545 1/20 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
ELANE P08246 1/20 0.30

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
SCHEMBL3727694 0.88 MAPT (0.32) MAPTLMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL3720475 0.88 HTT (0.37) MAPTLMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL3726861 0.88 MAPT (0.32) MAPTLMNA
SCHEMBL3716747 0.84 MAPT (0.39) MAPTLMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL3727136 0.83 MAPT (0.34) MAPTELANE
SCHEMBL3720739 0.82 MAPT (0.39) MAPT
SCHEMBL3720648 0.81 MAPT (0.36) MAPT
SCHEMBL3720723 0.80 MAPT (0.44) MAPTELANE
SCHEMBL3720189 0.79 TSHR (0.34) LMNACYP1A2SMN1; SMN2
SCHEMBL3720275 0.79 LMNA (0.32) LMNACYP1A2CYP2C19SMN1; SMN2HIF1A

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