SCHEMBL23796141

SCHEMBL23796141

Nc1ncc(-c2ccc(C(F)(F)F)cc2)c2ccc(Br)cc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.46
TRPV1 Q8NER1 1/20 0.43
CLK1 P49759 3/20 0.41
USP7 Q93009 1/20 0.40
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
FEN1 P39748 4/20 0.39
ALOX5AP P20292 3/20 0.39
KIF11 P52732 1/20 0.39
KCNH2 Q12809 3/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
THRB P10828 1/20 0.37
XDH P47989 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL23796227 0.83 TRPV1 (0.43) MAP4K4TRPV1CLK1CDK5CDK5R1
SCHEMBL2224558 0.79 MAP4K4 (0.57) MAP4K4TRPV1CLK1USP7CDK5
SCHEMBL23795928 0.73 BACE1 (0.41) TRPV1CLK1FEN1ALOX5APKIF11
SCHEMBL23796122 0.71 KMT2A (0.37) TRPV1CLK1FEN1ALOX5APTHRB
SCHEMBL26711827 0.71 TOP1 (0.50) MAP4K4CLK1USP7CDK5CDK5R1
SCHEMBL1348639 0.71 MAP4K4 (0.55) MAP4K4TRPV1CLK1USP7FEN1
SCHEMBL8981695 0.70 MAP4K4 (0.57) MAP4K4USP7FEN1ALOX5APKIF11
SCHEMBL23796415 0.69 MAOB (0.38) TRPV1KIF11
SCHEMBL23796457 0.69 MAOB (0.43) TRPV1XDHALDH1A1
SCHEMBL29655508 0.69 DHFR (0.55) MAP4K4CLK1CDK5CDK5R1KIF11

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
EP-3877356-A1 BICYCLIC COMPOUNDS Vivace Therapeutics, Inc. (US) 2021-09-15 EP disclosed
CN-113302175-A Bicyclic compounds 维瓦斯治疗公司 2021-08-24 CN disclosed