SCHEMBL27865414

SCHEMBL27865414

Cc1ccc(-c2ncc(-c3nc4ccccc4o3)n2CCO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 2/20 0.43
▸ NPC1 O15118 10/20 0.42
▸ RAB9A P51151 9/20 0.42
▸ SMN1; SMN2 Q16637 8/20 0.42
▸ KDM4E B2RXH2 6/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ HPGD P15428 6/20 0.42
▸ MAPT P10636 4/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ HCRTR1 O43613 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ PTPN2 P17706 1/20 0.42
▸ PTPN1 P18031 1/20 0.42

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
Hydrochloric Acid SCHEMBL27865341 0.88 NPC1 (0.44) METNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL27848305 0.87 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL27848324 0.87 HPGD (0.44) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL28794160 0.84 P2RY14 (0.43) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL27848319 0.84 MEN1 (0.48) NPC1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL27865326 0.83 DUSP1 (0.39) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL27848415 0.82 PPARG (0.43) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL27865345 0.80 MAPT (0.56) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL27848329 0.80 P2RY14 (0.42) NPC1SMN1; SMN2MAPTP2RY14RXFP1
SCHEMBL27865349 0.78 HCRTR2 (0.41) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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-102428080-A Therapeutic or prophylactic agent for diseases in which neurotrophic factor activity participates SUMITOMO CHEMICAL CO 2012-04-25 — — CN disclosed
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