SCHEMBL14313534

SCHEMBL14313534

COc1ccc(C(=O)Nc2ccc(Cl)c(-c3ncc(C4=CC=CCC4)[nH]3)c2)c(OC)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ NPC1 O15118 1/20 0.49
▸ HTT P42858 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 2/20 0.39
▸ THRB P10828 1/20 0.37
▸ USP28 Q96RU2 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL1624411 0.85 RAB9A (0.60) HPGDRAB9ATSHRSMN1; SMN2HSD17B10
SCHEMBL14305395 0.83 USP28 (0.39) RAB9ANPC1MAPTUSP28
SCHEMBL14313533 0.79 USP28 (0.44) RAB9AMAPTUSP28
SCHEMBL1624544 0.77 RAB9A (0.48) HPGDRAB9ATSHRSMN1; SMN2HSD17B10
SCHEMBL1624596 0.77 HPGD (0.48) HPGDRAB9ATSHRSMN1; SMN2HSD17B10
SCHEMBL1625099 0.74 MAPT (0.52) SMN1; SMN2HTTMAPTKMT2AMEN1
SCHEMBL1624919 0.73 MAPT (0.45) TSHRNPC1HTTMAPTKMT2A
SCHEMBL1624693 0.72 MAPT (0.42) MAPTUSP28
SCHEMBL1624851 0.72 MAPT (0.43) HPGDRAB9ATSHRSMN1; SMN2HSD17B10
SCHEMBL1624738 0.72 MAPT (0.47) SMN1; SMN2HTTMAPTKMT2AMEN1

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-2008014291-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2008-01-31 — — WO disclosed
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