SCHEMBL13457341

SCHEMBL13457341

O=C(Nc1nc2ccc(-c3ccncc3)cc2s1)c1ccc2c(c1)OCCO2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.67
▸ NPC1 O15118 8/20 0.67
▸ RAB9A P51151 7/20 0.67
▸ SMN1; SMN2 Q16637 4/20 0.67
▸ ALDH1A1 P00352 4/20 0.67
▸ RXFP1 Q9HBX9 2/20 0.66
▸ KDM4E B2RXH2 8/20 0.62
▸ HPGD P15428 2/20 0.62
▸ TDP1 Q9NUW8 3/20 0.60
▸ BLM P54132 2/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ APEX1 P27695 1/20 0.60
▸ PPARG P37231 1/20 0.60
▸ ATM Q13315 1/20 0.60
▸ NCOA2 Q15596 1/20 0.60
▸ NCOA1 Q15788 1/20 0.60
▸ NR2E3 Q9Y5X4 1/20 0.60
▸ NCOR2 Q9Y618 1/20 0.60
▸ NCOA3 Q9Y6Q9 1/20 0.60
▸ LMNA P02545 6/20 0.59

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
SCHEMBL13456998 0.94 NPC1 (0.71) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13457119 0.81 LRRK2 (0.64) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4920831 0.80 SCD (0.72) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13457261 0.79 ALDH1A1 (0.57) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13457004 0.79 HTT (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL4923421 0.78 SMN1; SMN2 (0.68) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13457015 0.78 SCD (0.75) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13457002 0.78 ALDH1A1 (0.63) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13457414 0.77 CLK4 (0.65) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13457455 0.77 ITK (0.56) NPC1RAB9AALDH1A1HPGDLMNA

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-2010024903-A1 BENZO[d]OXAZOLES AND BENZO[d]THIAZOLES AS KINASE INHIBITORS FENG YANGBO (US) 2010-03-04 — — WO disclosed
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