SCHEMBL9621888

SCHEMBL9621888

CC(C)(C)c1cccc(N=Nc2ccccc2)c1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CASP3 P42574 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
SENP8 Q96LD8 1/20 0.38
TRPA1 O75762 1/20 0.38
FTO Q9C0B1 1/20 0.38
CA2 P00918 1/20 0.36
TDP1 Q9NUW8 7/20 0.36
MAPK1 P28482 6/20 0.36
TSHR P16473 4/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
MAPT P10636 5/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
NPC1 O15118 2/20 0.36
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 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
SCHEMBL24413939 0.86 CA2 (0.38) CASP3SENP7SENP6SENP8CA2
SCHEMBL10415826 0.85 ALDH1A1 (0.50) ALDH1A1CASP3SENP7SENP6SENP8
SCHEMBL9621849 0.78 ALDH1A1 (0.39) ALDH1A1CASP3SENP7SENP6SENP8
SCHEMBL28648439 0.77 SENP7 (0.47) ALDH1A1CASP3SENP7SENP6SENP8
SCHEMBL9621536 0.77 ALDH1A1 (0.38) ALDH1A1CASP3SENP7SENP6SENP8
SCHEMBL2745089 0.76 CA2 (0.40) ALDH1A1CA2TDP1TSHRMAPT
SCHEMBL11319447 0.74 ALDH1A1 (0.48) ALDH1A1CASP3SENP7SENP6SENP8
SCHEMBL11319448 0.74 ALDH1A1 (0.48) ALDH1A1CASP3SENP7SENP6SENP8
SCHEMBL10342934 0.73 ALDH1A1 (0.44) ALDH1A1CASP3SENP7SENP6SENP8
SCHEMBL6663440 0.72 CA2 (0.40) ALDH1A1CA2TDP1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113480485-A 1,2, 4-triaryl-1, 2, 4-triazoles compound and synthetic method thereof 甘肃农业大学 2021-10-08 CN claimed
US-4248678-A Alkylating of nitrogen acids using electrogenerated bases as catalysts MONSANTO COMPANY (US) 1981-02-03 US claimed
CN-109529820-B Preparation method of catalyst for preparing benzotriazole ultraviolet absorber by catalytic hydrogenation 利安隆科润(浙江)新材料有限公司 2021-11-30 CN disclosed
CN-113480485-A 1,2, 4-triaryl-1, 2, 4-triazoles compound and synthetic method thereof 甘肃农业大学 2021-10-08 CN disclosed
EP-0263905-B1 METHOD FOR PREPARING 2-PHENYLBENZOTRIAZOLES AND 2-PHENYLBENZOTRIAZOLE-N-OXIDES CHEMIPRO KASEI KAISHA, LTD. (JP) 1992-04-15 EP disclosed
EP-0257151-B1 METHOD FOR PREPARING 2-PHENYLBENZOTRIAZOLES AND 2-PHENYLBENZOTRIAZOLE-N-OXIDES CHEMIPRO KASEI KAISHA, LTD. (JP) 1992-01-29 EP disclosed