SCHEMBL11250306

SCHEMBL11250306

N#CCc1cn(-c2ccccc2)nc1-c1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.70
▸ GSK3A P49840 1/20 0.56
▸ GSK3B P49841 1/20 0.56
▸ MAPK1 P28482 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ ALDH1A1 P00352 7/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ HTT P42858 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL11240095 0.88 KDM4E (0.60) GAAMAPK1NPC1RAB9AALDH1A1
SCHEMBL11252512 0.83 GAA (1.00) GAAGSK3AGSK3BMAPK1NPC1
SCHEMBL11156647 0.80 ALDH1A1 (0.78) GAAGSK3AGSK3BMAPK1NPC1
SCHEMBL11245692 0.79 RAB9A (0.69) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL11245465 0.79 KDM4E (0.57) ALDH1A1KDM4EMAPTNPSR1TSHR
SCHEMBL11247047 0.79 KDM4E (0.64) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL11249486 0.79 KMT2A (0.69) MAPK1NPC1RAB9AALDH1A1KDM4E
SCHEMBL11543404 0.79 MEN1 (0.61) GAANPC1RAB9AALDH1A1KDM4E
SCHEMBL11255300 0.79 ALDH1A1 (0.55) MAPK1NPC1RAB9AALDH1A1KDM4E
SCHEMBL11250798 0.79 ALDH1A1 (0.62) MAPK1NPC1RAB9AALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 — — US disclosed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 — — US disclosed
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