SCHEMBL29043663

SCHEMBL29043663

Nc1cnc(Oc2ccccc2)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.49
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPK8 P45983 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ MAPT P10636 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ PLA2G10 O15496 1/20 0.42
▸ LOXL2 Q9Y4K0 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ KDM6B O15054 1/20 0.41
▸ KDM4A O75164 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ KDM4D Q6B0I6 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41

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
SCHEMBL29043665 0.85 ALDH1A1 (0.58) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL29589415 0.77 NNMT (0.51) IDO1MEN1KMT2AALDH1A1MAPT
SCHEMBL2002960 0.77 NNMT (0.51) IDO1MEN1KMT2AALDH1A1MAPT
SCHEMBL16792635 0.76 UHRF1 (0.46) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL16792623 0.75 SMN1; SMN2 (0.46) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL11817548 0.74 ACACB (0.42) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL5078313 0.73 POLB (0.57) IDO1MEN1KMT2AALDH1A1MAPT
SCHEMBL14015136 0.72 LOXL2 (0.45) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL11812772 0.72 MAPT (0.45) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL11817553 0.72 CCNC (0.43) NPC1RAB9AMEN1KMT2AALDH1A1

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
CN-108069957-B Prolyl hydroxylase inhibitors and uses thereof 广东东阳光药业有限公司 2022-11-04 — — CN disclosed
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