SCHEMBL25186262

SCHEMBL25186262

CCc1ccc(Nc2ncncn2)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ LRRK2 Q5S007 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PIK3CG P48736 2/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GAA P10253 1/20 0.33

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
SCHEMBL25186522 0.88 GAA (0.36) NPC1RAB9ASMN1; SMN2LRRK2MAPK1
SCHEMBL10620683 0.71 CA1 (0.46) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL18175744 0.71 SMN1; SMN2 (0.38) NPC1RAB9ASMN1; SMN2MAPK1KDM4E
SCHEMBL9422589 0.70 LRRK2 (0.45) LRRK2ALDH1A1MAPTKMT2A
SCHEMBL10618095 0.69 GAA (0.38) NPC1RAB9ASMN1; SMN2MAPK1KDM4E
SCHEMBL25186263 0.68 CYP3A4 (0.57) NPC1RAB9ASMN1; SMN2MAPK1KDM4E
SCHEMBL9313406 0.66 POLB (0.56) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL2874927 0.66 LMNA (0.39) NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL30827320 0.66 CA1 (0.54) NPC1RAB9ASMN1; SMN2MAPK1KDM4E
SCHEMBL11133278 0.66 CA1 (0.54) NPC1RAB9ASMN1; SMN2MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151218-A1 Reactive Disperse Yellow Dye for Supercritical CO2 Dyeing and Methods of Production and Use Thereof DALIAN POLYTECHNIC UNIVERSITY (CN) 2023-05-18 — — US disclosed
CN-114163838-B Supercritical CO 2 Yellow reactive disperse dye for dyeing and preparation method and application thereof 大连工业大学 2023-05-16 — — CN disclosed
CN-114163838-A Supercritical CO2Yellow reactive disperse dye for dyeing and preparation method and application thereof 大连工业大学 2022-03-11 — — CN disclosed
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