SCHEMBL30141985

SCHEMBL30141985

Cc1ccccc1-c1nccc(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ DCUN1D1 Q96GG9 2/20 0.42
▸ KDM5A P29375 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.41
▸ NPY5R Q15761 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40

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
SCHEMBL14340862 1.00 HPGD (0.45) HPGDNPC1ALDH1A1HTTRAB9A
SCHEMBL29856941 0.79 NPC1 (0.45) NPC1ALDH1A1RAB9ADCUN1D1NOTUM
SCHEMBL11683708 0.78 ALDH1A1 (0.40) HPGDNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29891752 0.78 PDE5A (0.51) ALDH1A1CYP1A2CYP3A4DCUN1D1HSD17B10
SCHEMBL7591056 0.76 PTGES (0.48) —
SCHEMBL28746022 0.75 CYP1A2 (0.46) ALDH1A1CYP1A2CYP3A4CYP2C19NPY5R
SCHEMBL9296042 0.73 PDE5A (0.57) HPGDALDH1A1SMN1; SMN2CYP1A2KDM4E
SCHEMBL1133436 0.73 GAA (0.50) HPGDNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1129657 0.72 ALDH1A1 (0.39) HPGDNPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL674011 0.72 NISCH (0.53) HPGDNPC1ALDH1A1HTTRAB9A

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-2022200523-A9 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 19 (USP19) ALMAC DISCOVERY LIMITED (GB) 2023-02-16 — — WO claimed
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