SCHEMBL30440802

SCHEMBL30440802

COc1ncccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.55
NFE2L2 Q16236 5/20 0.54
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
HTR1A P08908 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
APLNR P35414 1/20 0.43

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
SCHEMBL322870 1.00 SLC22A12 (0.55) SLC22A12NFE2L2ALDH1A1MAPTATM
SCHEMBL25407823 0.86 SLC22A12 (0.47) SLC22A12NFE2L2ALDH1A1MAPTATM
SCHEMBL77689 0.82 SLC22A12 (0.46) SLC22A12NFE2L2APLNR
SCHEMBL2387153 0.81 SLC22A12 (0.46) SLC22A12NFE2L2ALDH1A1MAPTATM
SCHEMBL8989529 0.80 ALDH1A1 (0.46) SLC22A12NFE2L2ALDH1A1MAPTATM
SCHEMBL30503590 0.79 ALDH1A1 (0.43) SLC22A12NFE2L2ALDH1A1MAPTATM
SCHEMBL11972428 0.78 APLNR (0.46) SLC22A12NFE2L2APLNR
SCHEMBL15677613 0.78 SLC22A12 (0.44) SLC22A12NFE2L2ALDH1A1MAPTATM
SCHEMBL25023658 0.78 SLC22A12 (0.44) SLC22A12NFE2L2APLNR
SCHEMBL19002316 0.78 SSTR4 (0.51) SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112625028-B Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2024-10-29 CN disclosed
CN-110845490-B 2-acylaminothiazole derivative or salt thereof 旭飞药业股份有限公司 2023-03-28 CN disclosed