SCHEMBL27675974

SCHEMBL27675974

Nc1ccc(-c2cc(N)ccn2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 3/20 0.73
KMT2A Q03164 7/20 0.44
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 6/20 0.44
MAPT P10636 5/20 0.44
HPGD P15428 3/20 0.44
TP53 P04637 2/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
GLA P06280 1/20 0.42
KEAP1 Q14145 1/20 0.41
METAP2 P50579 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL30337333 0.95 ASIC3 (0.79) ASIC3KMT2AALDH1A1MEN1MAPT
SCHEMBL21925686 0.86 ASIC3 (0.56) ASIC3KMT2AALDH1A1MEN1MAPT
SCHEMBL28593789 0.85 ASIC3 (0.66) ASIC3KMT2AALDH1A1MEN1MAPT
SCHEMBL21055972 0.85 ASIC3 (0.66) ASIC3KMT2AALDH1A1MEN1MAPT
SCHEMBL12692399 0.85 ASIC3 (0.66) ASIC3KMT2AALDH1A1MEN1MAPT
SCHEMBL12436465 0.85 ASIC3 (0.92) ASIC3KMT2AALDH1A1MEN1MAPT
SCHEMBL30437053 0.85 ASIC3 (0.66) ASIC3KMT2AALDH1A1MEN1MAPT
SCHEMBL3788626 0.84 ASIC3 (1.00) ASIC3KMT2AALDH1A1MEN1MAPT
SCHEMBL18745790 0.84 ASIC3 (0.70) ASIC3KMT2AALDH1A1MEN1MAPT
SCHEMBL28427582 0.84 ASIC3 (0.53) ASIC3KMT2AALDH1A1MEN1MAPT

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-100360507-C Inhibition of raf kinase using substituted heterocyclic ureas BAYER AG (US) 2008-01-09 CN disclosed