SCHEMBL25186263

SCHEMBL25186263

CCc1ccc(N)c(Cl)c1.c1ncncn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.57
▸ TSHR P16473 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ HPGD P15428 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GAA P10253 2/20 0.35
▸ TRPA1 O75762 1/20 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
SCHEMBL3793211 0.90 CYP3A4 (0.68) CYP3A4TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL25186523 0.86 CYP3A4 (0.53) CYP3A4TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL3790481 0.75 CYP3A4 (0.63) CYP3A4TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL3787241 0.74 TP53 (0.50) CYP3A4TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL43509 0.73 CYP3A4 (1.00) CYP3A4TSHRSMN1; SMN2RAB9AALDH1A1
SCHEMBL1170188 0.73 CYP3A4 (0.74) CYP3A4TSHRALDH1A1MAPK1HPGD
SCHEMBL30097830 0.73 CYP3A4 (1.00) CYP3A4TSHRSMN1; SMN2RAB9AALDH1A1
SCHEMBL2747648 0.72 SKP2 (0.65) CYP3A4TSHRSMN1; SMN2NPC1RAB9A
Ammonia Solution, Strong SCHEMBL9140534 0.71 CYP3A4 (0.95) CYP3A4TSHRRAB9AALDH1A1MAPK1
SCHEMBL8765734 0.71 CYP3A4 (0.95) CYP3A4TSHRRAB9AALDH1A1MAPK1

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
Send feedback