SCHEMBL17434737

SCHEMBL17434737

COCCOc1cccc(Nc2ccc(C(=O)NNCc3ccccc3)cn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HCAR3 P49019 1/20 0.43
SYK P43405 1/20 0.42
HDAC6 Q9UBN7 3/20 0.42
MAPK1 P28482 1/20 0.42
CNR2 P34972 1/20 0.41
GCK P35557 2/20 0.41
VNN1 O95497 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
RARA P10276 1/20 0.41

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
SCHEMBL2729349 0.84 SYK (0.48) MAPTMEN1KMT2AALDH1A1HCAR3
SCHEMBL2716087 0.82 JAK1 (0.48) MAPTMEN1KMT2AHCAR3HDAC3
SCHEMBL2694589 0.76 JAK3 (0.70)
SCHEMBL17434736 0.74 AURKA (0.54) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL3722314 0.72 HDAC3 (0.51) MAPTMEN1KMT2AHDAC6MAPK1
SCHEMBL11567546 0.72 HCAR3 (0.65) MAPTMEN1KMT2AHCAR3MAPK1
SCHEMBL13569070 0.71 PRKACA (0.54) MAPTMEN1KMT2AALDH1A1VNN1
SCHEMBL3656971 0.70 SYK (0.55) MAPTMEN1KMT2ASYKMAPK1
SCHEMBL3715739 0.68 HDAC3 (0.51) HDAC6VNN1HDAC3HDAC1HDAC2
SCHEMBL29006697 0.68 PLAU (0.68) MEN1KMT2AALDH1A1POLBVNN1

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
EP-2975027-A1 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed