SCHEMBL27698191

SCHEMBL27698191

NC(=O)c1cc(Br)cc2c(C3CCN(C(=O)O)CC3)n[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPK10 P53779 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.36
BTK Q06187 10/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CHUK O15111 2/20 0.32
PARP1 P09874 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CNR1 P21554 1/20 0.31

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
SCHEMBL3395473 0.84 KDM4E (0.44) MEN1MAPTKMT2AUSP2ALDH1A1
SCHEMBL3391190 0.83 IKBKB (0.41) IKBKBMEN1MAPTKMT2AUSP2
SCHEMBL3395534 0.83 IKBKB (0.48) IKBKBMEN1MAPTKMT2AUSP2
Hydrochloric Acid SCHEMBL3395405 0.82 IKBKB (0.41) IKBKBMEN1MAPTKMT2AUSP2
SCHEMBL3989890 0.82 TLR9 (0.39) IKBKBMEN1MAPTKMT2AUSP2
SCHEMBL3395461 0.81 SCD5 (0.33)
SCHEMBL27698208 0.79 RPS6KB1 (0.40) IKBKBBTKCHUK
SCHEMBL31404482 0.79 HCAR2 (0.39) IKBKBMEN1MAPTKMT2AUSP2
SCHEMBL27679141 0.79 CDK2 (0.38) IKBKBBTKCHUK
SCHEMBL27713739 0.78 IKBKB (0.52) IKBKBBTKCHUK

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-101005836-A Novel indazole carboxamides and their use SMITHKLINE BEECHAM CORP (US) 2007-07-25 CN disclosed