SCHEMBL3403614

SCHEMBL3403614

CCc1nn(-c2cccc(C)c2)c2ncnc(N)c12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ PIK3CD O00329 5/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ SRC P12931 6/20 0.46
▸ EGFR P00533 2/20 0.46
▸ ABL1 P00519 2/20 0.46
▸ PIK3CB P42338 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ GSK3B P49841 1/20 0.43
▸ DHFR P00374 1/20 0.43
▸ AKT1 P31749 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
Ammonia Solution, Strong SCHEMBL28485616 0.87 KDM4E (0.45) KDM4ENPC1HTTRAB9ABLM
SCHEMBL16061135 0.81 ALDH1A1 (0.47) KDM4ENPC1HTTRAB9ABLM
SCHEMBL23409095 0.73 NUDT14 (0.64) PIK3CDSRCEGFRABL1PIK3CB
SCHEMBL22567087 0.72 KHK (0.47) ALDH1A1LMNAMAPTDHFR
SCHEMBL17264219 0.71 SRC (0.52) KDM4ENPC1HTTRAB9ABLM
SCHEMBL13790393 0.71 NPC1 (1.00) KDM4ENPC1HTTRAB9ABLM
Hydrochloric Acid SCHEMBL29369186 0.71 KHK (0.46) ALDH1A1LMNAMAPTDHFR
Hydrochloric Acid SCHEMBL22559675 0.71 KHK (0.46) ALDH1A1LMNAMAPTDHFR
SCHEMBL6205168 0.71 GSK3B (0.61) NPC1HTTRAB9AHSD17B10PIK3CD
SCHEMBL6207166 0.71 GSK3B (0.66) KDM4ENPC1RAB9ANPSR1HSD17B10

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
EP-2254572-A2 COMPOUNDS THAT ENHANCE ATOH-1 EXPRESSION Massachusetts Eye & Ear Infirmary (US) 2010-12-01 — — EP claimed
WO-2009100438-A2 COMPOUNDS THAT ENHANCE ATOH-1 EXPRESSION MASSACHUSETTS EYE & EAR INFIRMARY (US) 2009-08-13 — — WO claimed
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