SCHEMBL19783484

SCHEMBL19783484

Cc1cc(C)c2ncc(OCc3ccccc3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MAPT P10636 3/20 0.41
▸ NUDT1 P36639 1/20 0.40
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ F2RL3 Q96RI0 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PSMB5 P28074 1/20 0.38
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37

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
SCHEMBL19783486 0.86 STAT3 (0.41) STAT3HTTSMN1; SMN2L3MBTL1MAPT
SCHEMBL19783468 0.78 F2RL3 (0.69) STAT3HTTSMN1; SMN2F2RL3ALDH1A1
SCHEMBL30189527 0.78 F2RL3 (0.69) STAT3HTTSMN1; SMN2F2RL3ALDH1A1
SCHEMBL19776972 0.76 F2RL3 (0.46) F2RL3
SCHEMBL610046 0.72 L3MBTL1 (0.51) STAT3HTTSMN1; SMN2L3MBTL1MAPT
SCHEMBL22980373 0.71 GABRG2 (0.42) STAT3HTTSMN1; SMN2L3MBTL1MAPT
SCHEMBL12157689 0.71 ALDH1A1 (0.51) STAT3HTTSMN1; SMN2L3MBTL1MAPT
SCHEMBL10481838 0.70 MAPT (0.50) STAT3HTTSMN1; SMN2L3MBTL1MAPT
SCHEMBL4265760 0.69 CYP11B2 (0.48) SMN1; SMN2L3MBTL1MAPTNUDT1GABRP
SCHEMBL23213780 0.69 L3MBTL1 (0.47) STAT3HTTSMN1; SMN2L3MBTL1MAPT

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-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 — — WO disclosed
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