SCHEMBL27848407

SCHEMBL27848407

COc1ccccc1-n1c(-c2nc3ccccc3o2)cnc1-c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.48
▸ ALOX5 P09917 1/20 0.44
▸ PTGS2 P35354 2/20 0.43
▸ HPSE Q9Y251 1/20 0.42
▸ PTPN2 P17706 2/20 0.42
▸ PTPN1 P18031 2/20 0.42
▸ PTPN5 P54829 2/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.41
▸ AVPR2 P30518 1/20 0.40
▸ AVPR1A P37288 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TP53 P04637 3/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ RPS6KB1 P23443 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
SCHEMBL27848308 0.81 ALDH1A1 (0.52) NPC1ALOX5PTPN2PTPN1PTPN5
SCHEMBL27848320 0.81 NPC1 (0.43) NPC1PTPN2PTPN1PTPN5KDM4E
SCHEMBL27848324 0.75 HPGD (0.44) NPC1PTPN2PTPN1PTPN5KDM4E
SCHEMBL27848305 0.75 NPC1 (0.44) NPC1PTPN2PTPN1PTPN5KDM4E
SCHEMBL27848485 0.73 PTPN2 (0.40) NPC1PTPN2PTPN1PTPN5KDM4E
SCHEMBL2686599 0.73 NPC1 (0.58) NPC1ALOX5PTGS2HPSEPTPN2
SCHEMBL27848319 0.73 MEN1 (0.48) NPC1KDM4EALDH1A1LMNAMAPT
SCHEMBL27865414 0.73 MET (0.43) NPC1PTPN2PTPN1PTPN5KDM4E
SCHEMBL27865377 0.73 PTPN2 (0.42) NPC1PTPN2PTPN1PTPN5KDM4E
Hydrochloric Acid SCHEMBL27865341 0.72 NPC1 (0.44) NPC1PTPN2PTPN1PTPN5KDM4E

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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