SCHEMBL28820735

SCHEMBL28820735

C=CCn1c(S)nnc1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
APOBEC3G Q9HC16 1/20 0.39
HTT P42858 1/20 0.38
ALDH1A1 P00352 5/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C9 P11712 2/20 0.37
GAA P10253 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
POLB P06746 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL10012854 0.80 SMN1; SMN2 (0.52) MEN1KMT2ALMNACYP2C19CYP3A4
SCHEMBL19520419 0.79 HTT (0.54) MEN1KMT2ACYP2C19CYP3A4SMN1; SMN2
SCHEMBL10013032 0.78 ALDH1A1 (0.55) L3MBTL1MEN1KMT2ALMNACYP2D6
SCHEMBL13401049 0.74 L3MBTL1 (0.55) L3MBTL1KMT2ACYP2D6CYP2C19CYP3A4
SCHEMBL11367386 0.74 ALDH1A1 (0.55) L3MBTL1SMN1; SMN2HTTALDH1A1PKM
SCHEMBL4207370 0.74 ALDH1A1 (0.57) MEN1KMT2ALMNACYP2C19CYP1A2
SCHEMBL11245537 0.73 CYP3A4 (0.46) L3MBTL1LMNACYP2D6CYP3A4CYP1A2
SCHEMBL4199215 0.73 DRD4 (0.46) L3MBTL1MEN1KMT2ALMNACYP2D6
SCHEMBL4203020 0.72 ALDH1A1 (0.64) L3MBTL1LMNACYP2D6CYP2C19CYP3A4
SCHEMBL14112929 0.71 PKM (0.45) MEN1KMT2ALMNASMN1; SMN2APOBEC3G

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-114907514-A Multifunctional fiber and preparation method and application thereof 北京洁尔爽高科技有限公司 2022-08-16 CN disclosed