SCHEMBL6922276

SCHEMBL6922276

COC(=O)c1ccc(CSc2ccccc2C)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.57
▸ MAPT P10636 5/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ TSHR P16473 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ PPARG P37231 1/20 0.40
▸ NCOA2 Q15596 1/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ HPGD P15428 3/20 0.40
▸ ATM Q13315 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL6825954 0.78 L3MBTL1 (0.51) LMNAMAPTRAB9ASMN1; SMN2TSHR
SCHEMBL6828829 0.76 ALDH1A1 (0.45) LMNAMAPTRAB9ASMN1; SMN2TSHR
SCHEMBL29130678 0.76 LMNA (0.49) LMNAMAPTRAB9ASMN1; SMN2TSHR
SCHEMBL6829671 0.74 KMT2A (0.54) LMNAMAPTRAB9ASMN1; SMN2TSHR
SCHEMBL7129657 0.74 ALDH1A1 (0.48) LMNAMAPTRAB9ASMN1; SMN2TSHR
SCHEMBL6829019 0.74 MRGPRX4 (0.60) LMNAMAPTRAB9ASMN1; SMN2TSHR
SCHEMBL6829218 0.74 KMT2A (0.48) LMNAMAPTRAB9ASMN1; SMN2TSHR
SCHEMBL28420205 0.72 POLB (0.55) LMNAMAPTRAB9ASMN1; SMN2TSHR
SCHEMBL6829742 0.71 MAPT (0.40) LMNAMAPTRAB9ASMN1; SMN2TSHR
SCHEMBL11984343 0.71 HPGD (0.56) LMNAMAPTRAB9ASMN1; SMN2TSHR

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-2004037808-A1 2 - SUBSTITUTED HETEROCYCLIC COMPOUNDS AND ANTITUMOR COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2004-05-06 — — WO disclosed
Send feedback