SCHEMBL4831920

SCHEMBL4831920

O=C(Cc1cc(-c2ccco2)on1)N1CCC(n2ccnc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ SCD5 Q86SK9 6/20 0.44
▸ F10 P00742 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ SCD O00767 3/20 0.40
▸ EPHX2 P34913 2/20 0.40
▸ POLB P06746 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ USP2 O75604 2/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL1475692 0.86 RAB9A (0.66) RAB9ANPC1SCD5ALDH1A1CYP1A2
SCHEMBL4831915 0.75 RAB9A (0.38) RAB9ANPC1SCD5ALDH1A1CYP1A2
SCHEMBL1476803 0.70 RAB9A (0.58) RAB9ANPC1SCD5ALDH1A1CYP1A2
SCHEMBL28538566 0.67 HRH3 (0.52) F10CYP1A2KMT2AEPHX2MEN1
SCHEMBL18711874 0.65 F10 (0.43) F10EPHX2TSHR
SCHEMBL1474547 0.64 NOTUM (0.59) RAB9ANPC1SCD5ALDH1A1CYP1A2
SCHEMBL13584814 0.63 F10 (0.44) F10KDM4E
SCHEMBL13584816 0.63 F10 (0.44) F10KDM4E
SCHEMBL1475114 0.63 EPHX2 (0.54) RAB9ANPC1ALDH1A1HPGDKMT2A
SCHEMBL1177874 0.63 RAB9A (0.64) RAB9ANPC1ALDH1A1HPGDKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 — — EP claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 — — WO claimed
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