SCHEMBL28301620

SCHEMBL28301620

BrCc1cccc(-c2cscn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.45
HCRTR1 O43613 3/20 0.42
HCRTR2 O43614 3/20 0.42
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
KAT6A Q92794 1/20 0.40
EGFR P00533 1/20 0.39
PRMT6 Q96LA8 1/20 0.36
CHEK2 O96017 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HK1 P19367 1/20 0.35
RAB9A P51151 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
FYN P06241 1/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT1 Q99873 1/20 0.34
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34

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
SCHEMBL4473468 0.83 IDO1 (0.50) SCN9AHCRTR1HCRTR2KAT6AEGFR
SCHEMBL4542718 0.83 PRKCI (0.53) SCN9AHCRTR1HCRTR2KAT6AFYN
SCHEMBL7855710 0.81 HCRTR1 (0.43) SCN9AHCRTR1HCRTR2KAT6AEGFR
SCHEMBL7693404 0.81 TAAR1 (0.46) SCN9AHCRTR1HCRTR2KAT6AEGFR
SCHEMBL5322690 0.79 RAB9A (0.54) SCN9AKAT6AEGFRALDH1A1MAPT
SCHEMBL1259158 0.79 CARM1 (0.40) SCN9ACHEK2ALDH1A1MAPTRAB9A
SCHEMBL1879703 0.74 TSHR (0.51) SCN9AKAT6AALDH1A1MAPTHPGD
SCHEMBL4518536 0.74 CYP19A1 (0.50) SCN9AKAT6AFYNABL1ATP4A
SCHEMBL10151028 0.74 SCN9A (0.51) SCN9AKAT6AEGFRALDH1A1ATP4A
SCHEMBL2789456 0.74 HSD17B1 (0.58) SCN9AKAT6AFYNATP4AATP4B

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-109952302-A Muscarine M1 receptor forward direction allosteric modulators 苏文生命科学有限公司 2019-06-28 CN disclosed