SCHEMBL27865349

SCHEMBL27865349

CCC(CO)n1c(-c2nc3ccccc3o2)cnc1-c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 1/20 0.41
▸ PTPN2 P17706 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PTPN5 P54829 1/20 0.39
▸ MAPT P10636 5/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ P2RY14 Q15391 1/20 0.38
▸ SMN1; SMN2 Q16637 6/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ NPC1 O15118 6/20 0.37
▸ RAB9A P51151 5/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ HPGD P15428 4/20 0.37
▸ HSD17B10 Q99714 4/20 0.37
▸ TP53 P04637 3/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL27865377 0.81 PTPN2 (0.42) PTPN2PTPN1PTPN5MAPTALDH1A1
SCHEMBL27848305 0.79 NPC1 (0.44) PTPN2PTPN1PTPN5MAPTALDH1A1
SCHEMBL27865414 0.78 MET (0.43) PTPN2PTPN1PTPN5MAPTALDH1A1
SCHEMBL28794160 0.74 P2RY14 (0.43) PTPN2PTPN1PTPN5MAPTALDH1A1
SCHEMBL27848319 0.74 MEN1 (0.48) MAPTALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL2687366 0.74 TSHR (0.44) HCRTR2MAPTALDH1A1NPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL27865341 0.73 NPC1 (0.44) PTPN2PTPN1PTPN5MAPTALDH1A1
SCHEMBL27848324 0.72 HPGD (0.44) PTPN2PTPN1PTPN5MAPTALDH1A1
SCHEMBL27848320 0.71 NPC1 (0.43) PTPN2PTPN1PTPN5MAPTALDH1A1
SCHEMBL27848418 0.71 PTPN2 (0.39) PTPN2PTPN1PTPN5MAPTALDH1A1

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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