SCHEMBL28601622

SCHEMBL28601622

[CH2]c1nc2cc(S)ccc2[nH]1

nearest known ligand 0.30

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ TNNI3 P19429 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ TNNT2 P45379 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ CASP6 P55212 1/20 0.30
▸ TNNC1 P63316 1/20 0.30
▸ KEAP1 Q14145 1/20 0.30
▸ NFE2L2 Q16236 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL29822961 0.79 MEN1 (0.32) MEN1MAPTKMT2AALDH1A1CYP1A2
SCHEMBL863229 0.79 MEN1 (0.32) MEN1MAPTKMT2AALDH1A1CYP1A2
SCHEMBL21983968 0.76 ALDH1A1 (0.47) MEN1MAPTKMT2AALDH1A1CYP1A2
SCHEMBL4794109 0.76 F7 (0.44) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL4386728 0.76 KMT2A (0.44) MEN1MAPTKMT2AALDH1A1CYP1A2
SCHEMBL4383173 0.76 NOS1 (0.41) ALDH1A1CYP1A2CYP2C19HTTRAB9A
SCHEMBL4387879 0.73 IMPDH2 (0.46) —
SCHEMBL18628731 0.72 NPBWR1 (0.43) KDM4E
SCHEMBL4393877 0.72 SCN10A (0.45) —
SCHEMBL8502481 0.72 ALDH1A1 (0.40) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2

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-113186570-B Piston rod surface treatment process 江苏新合益机械有限公司 2021-12-28 — — CN disclosed
CN-113186570-A Piston rod surface treatment process 江苏新合益机械有限公司 2021-07-30 — — CN disclosed
Send feedback