SCHEMBL28026421

SCHEMBL28026421

CC(Br)Oc1ccc(C(N)=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 15/20 0.72
PARP4 Q9UKK3 2/20 0.57
PARP2 Q9UGN5 2/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
PARP1 P09874 1/20 0.57
PARP15 Q460N3 3/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
PARP14 Q460N5 1/20 0.55
PARP16 Q8N5Y8 1/20 0.55
PARP11 Q9NR21 1/20 0.55
POLB P06746 1/20 0.49
PARP3 Q9Y6F1 1/20 0.44
HGFAC Q04756 1/20 0.44
GLA P06280 1/20 0.43

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
SCHEMBL2102012 0.84 PARP10 (1.00) PARP10PARP4PARP2CA1CA2
SCHEMBL16800111 0.84 ELANE (0.55) PARP10KMT2AALDH1A1
SCHEMBL4458942 0.82 MAPT (0.57) PARP10KMT2AALDH1A1POLBGLA
Hydrochloric Acid SCHEMBL4963786 0.82 PARP10 (0.96) PARP10PARP4PARP2CA1CA2
SCHEMBL11574352 0.82 PARP10 (0.75) PARP10PARP4PARP2CA1CA2
SCHEMBL27867048 0.81 PARP10 (0.72) PARP10PARP4PARP2CA1CA2
SCHEMBL9045342 0.81 PRSS1 (0.57) PARP10
SCHEMBL16800113 0.79 KMT2A (0.45) PARP10KMT2AALDH1A1POLB
SCHEMBL6616955 0.79 CA1 (0.60) CA1CA2KMT2AALDH1A1HGFAC
SCHEMBL17911615 0.78 ALDH1A3 (0.41) PARP10CA1CA2KMT2AALDH1A1

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-102276550-B The synthetic method of 2-aryl nitrile thiazole derivative and intermediate thereof JIUZHOU PHARMACEUTICAL CO., LTD., ZHEJIANG (CN) 2015-08-19 CN disclosed