SCHEMBL25186523

SCHEMBL25186523

CCCc1ccc(N)c(Cl)c1.c1ncncn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.53
▸ SKP2 Q13309 1/20 0.42
▸ TSHR P16473 2/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ PNMT P11086 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ SIGMAR1 Q99720 4/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CSNK2A1 P68400 2/20 0.35

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
SCHEMBL3790481 0.91 CYP3A4 (0.63) CYP3A4SKP2TSHRRAB9AALDH1A1
SCHEMBL25186263 0.86 CYP3A4 (0.57) CYP3A4TSHRRAB9AALDH1A1PNMT
SCHEMBL2747648 0.80 SKP2 (0.65) CYP3A4SKP2TSHRRAB9AALDH1A1
SCHEMBL1170188 0.79 CYP3A4 (0.74) CYP3A4SKP2TSHRALDH1A1PNMT
SCHEMBL7774089 0.77 SKP2 (0.56) CYP3A4SKP2RAB9AALDH1A1SMN1; SMN2
SCHEMBL11205585 0.77 SKP2 (0.56) CYP3A4SKP2RAB9AALDH1A1SMN1; SMN2
SCHEMBL3788823 0.76 TP53 (0.46) CYP3A4SKP2TSHRRAB9AALDH1A1
SCHEMBL3793211 0.75 CYP3A4 (0.68) CYP3A4SKP2TSHRRAB9AALDH1A1
SCHEMBL10584299 0.75 CYP3A4 (0.68) CYP3A4SKP2TSHRALDH1A1PNMT
SCHEMBL2735049 0.74 TAAR1 (0.69) CYP3A4TSHRALDH1A1PNMTTAAR1

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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