SCHEMBL2928229

SCHEMBL2928229

Nc1cc(Cc2ccccc2F)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
AR P10275 1/20 0.44
TAAR1 Q96RJ0 1/20 0.40
DAO P14920 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
TPO P07202 1/20 0.38
EPX P11678 1/20 0.38
IDO1 P14902 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HCAR3 P49019 1/20 0.37
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
AKR1B1 P15121 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL22710285 0.77 HCAR3 (0.47) MPOALDH1A1KDM4EARDAO
SCHEMBL956156 0.75 CDC7 (0.43) MPOALDH1A1ARDAOL3MBTL1
SCHEMBL14719562 0.75 AR (0.54) MPOALDH1A1KDM4EARDAO
SCHEMBL3341041 0.74 PNMT (0.46) MPOALDH1A1KDM4EARTAAR1
SCHEMBL7586453 0.73 AKR1B1 (0.56) MPOALDH1A1KDM4EARDAO
SCHEMBL3938075 0.73 DAO (0.40) MPOKDM4EARTAAR1DAO
SCHEMBL12692669 0.73 MPO (0.36) MPO
SCHEMBL13737667 0.72 ALDH1A1 (0.44) MPOALDH1A1TAAR1DAOIDO1
SCHEMBL23910269 0.71 L3MBTL1 (0.49) ALDH1A1KDM4ETAAR1L3MBTL1MAPT
SCHEMBL30518805 0.71 L3MBTL1 (0.49) ALDH1A1KDM4ETAAR1L3MBTL1MAPT

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
EP-2148677-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2010-02-03 EP disclosed
WO-2008131276-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-30 WO disclosed