SCHEMBL2705809

SCHEMBL2705809

O=C(Nc1ccc(Br)cc1)NC(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.68
MEN1 O00255 6/20 0.68
RAB9A P51151 4/20 0.68
NPC1 O15118 3/20 0.68
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
POLB P06746 2/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CNR1 P21554 1/20 0.51
HTT P42858 1/20 0.51
FPR2 P25090 2/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
EPHX2 P34913 1/20 0.50
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL11871306 0.82 NPC1 (0.58) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL420079 0.82 MAPT (0.73) KMT2AMEN1RAB9ANPC1MAOA
SCHEMBL8993463 0.81 MAOA (0.83) KMT2AMEN1RAB9ANPC1MAOA
SCHEMBL27884753 0.81 MAPT (0.67) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL2704531 0.81 ALDH1A1 (0.58) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL1465857 0.80 SMN1; SMN2 (0.64) KMT2AMEN1RAB9ANPC1MAOA
SCHEMBL11865402 0.78 NPC1 (0.67) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL5443582 0.77 MAOA (0.69) KMT2AMEN1RAB9ANPC1MAOA
SCHEMBL14902676 0.77 KMT2A (0.72) KMT2AMEN1RAB9ANPC1MAOA
SCHEMBL490629 0.76 CA12 (0.58) KMT2AMEN1RAB9ANPC1MAOA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298311-B1 w-Carboxy aryl substituted diphenyl ureas as p38 kinase inhibitors BAYER HEALTHCARE LLC (US) 2012-05-09 EP claimed
EP-1158985-B1 OMEGA-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2011-12-28 EP claimed
CN-1219764-C Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER AG (US) 2005-09-21 CN claimed
CN-1341098-A Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER AG (US) 2002-03-20 CN claimed
CN-1341098-A Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER AG (US) 2002-03-20 CN disclosed