SCHEMBL11496547

SCHEMBL11496547

Cc1ccccc1-c1nn[nH]c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.44
▸ EPHA4 P54764 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ DCUN1D1 Q96GG9 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTR7 P34969 1/20 0.40
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ FFAR2 O15552 1/20 0.38
▸ DPP4 P27487 1/20 0.38

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
SCHEMBL5601860 0.81 GAA (0.47) GAAEPHA4ADORA2ANPC1RAB9A
SCHEMBL28327759 0.79 GAA (0.46) GAAEPHA4ADORA2ANPC1RAB9A
SCHEMBL6065104 0.78 GAA (0.44) GAAEPHA4ADORA2ANPC1RAB9A
SCHEMBL29244334 0.78 GAA (0.44) GAAEPHA4ADORA2ANPC1RAB9A
SCHEMBL3387254 0.78 GAA (0.49) GAAEPHA4ADORA2ANPC1RAB9A
SCHEMBL8583338 0.77 DPP4 (0.42) GAAEPHA4ADORA2ANPC1RAB9A
SCHEMBL26849394 0.76 GAA (0.40) GAAADORA2ANPC1RAB9ASMN1; SMN2
SCHEMBL23221250 0.75 ALDH1A1 (0.45) GAAADORA2ANPC1RAB9ASMN1; SMN2
SCHEMBL10725446 0.75 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1KDM4EHPGDMEN1
SCHEMBL1856310 0.74 EPHA4 (0.51) GAAEPHA4ADORA2ANPC1RAB9A

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
US-4184991-A TREATING WATER WITH A BENZOTRIAZOLE AND AN ACRYLIC ESTER POLYMER ZIMMITE CORPORATION (US) 1980-01-22 — — US disclosed
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