SCHEMBL28042018

SCHEMBL28042018

NC(=O)N(N)c1cccc(N(N)C(N)=O)c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.33
ALOX5 P09917 1/20 0.32
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
TSPO P30536 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL28172033 0.81 TSHR (0.40) PARP1MEN1KMT2AGAAALOX5
SCHEMBL27879966 0.80 GAA (0.48) MEN1KMT2AGAAALOX5F2
SCHEMBL28095001 0.78 KDM4E (0.46) PARP1MEN1KMT2AGAACYP3A4
SCHEMBL28085048 0.78 GAA (0.38) PARP1MEN1KMT2AGAAALOX5
SCHEMBL28069281 0.78 PARP1 (0.36) PARP1MEN1KMT2AGAAALOX5
SCHEMBL28192976 0.78 MEN1 (0.34) PARP1MEN1KMT2AGAATSPO
SCHEMBL27676271 0.77 CA12 (0.41) PARP1MEN1KMT2AGAAALOX5
SCHEMBL28173153 0.77 GAA (0.45) MEN1KMT2AGAAALOX5F2
SCHEMBL9234329 0.74 CYP3A4 (0.38) PARP1GAAALOX5TSPOPOLB
SCHEMBL3294924 0.74 SIGMAR1 (0.47) MEN1KMT2AGAAALOX5POLB

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-105247120-B Organic resin non-crimped staple fiber 帝人株式会社 2017-05-17 CN disclosed
CN-105247120-A Organic resin non-crimped staple fiber TEIJIN LTD 2016-01-13 CN disclosed