SCHEMBL29470100

SCHEMBL29470100

CC(C)(C)CNc1nc(-c2ccccc2)cs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.61
MAPT P10636 8/20 0.61
NPC1 O15118 7/20 0.61
ALDH1A1 P00352 5/20 0.61
STAT1 P42224 1/20 0.61
MEN1 O00255 11/20 0.55
KMT2A Q03164 11/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
GFER P55789 2/20 0.55
GAA P10253 5/20 0.52
LMNA P02545 3/20 0.52
ALOX12 P18054 2/20 0.52
KDM4E B2RXH2 2/20 0.52
HTT P42858 1/20 0.52
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL6695940 0.89 MAPT (0.59) RAB9AMAPTNPC1ALDH1A1STAT1
SCHEMBL2582346 0.82 KMT2A (0.49) RAB9AMAPTNPC1ALDH1A1STAT1
SCHEMBL6699358 0.82 MAPT (0.52) RAB9AMAPTNPC1ALDH1A1STAT1
SCHEMBL1747419 0.82 MEN1 (0.71) RAB9AMAPTNPC1ALDH1A1STAT1
SCHEMBL1745328 0.79 MAPT (0.62) RAB9AMAPTNPC1ALDH1A1STAT1
SCHEMBL1747328 0.79 RAB9A (0.81) RAB9AMAPTNPC1ALDH1A1STAT1
SCHEMBL1819538 0.79 MEN1 (0.60) RAB9AMAPTNPC1ALDH1A1STAT1
SCHEMBL21517172 0.78 MAPT (0.61) RAB9AMAPTNPC1ALDH1A1STAT1
SCHEMBL1820346 0.78 ALDH1A1 (0.76) RAB9AMAPTNPC1ALDH1A1STAT1
SCHEMBL10475630 0.77 MAPT (0.91) RAB9AMAPTNPC1ALDH1A1STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114127132-A Olefin polymerization catalyst with thiazole or imidazole 陶氏环球技术有限责任公司 2022-03-01 CN disclosed