SCHEMBL7058262

SCHEMBL7058262

O=C(NC(c1ccccc1)[N+](=O)[O-])c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
HTT P42858 3/20 0.52
LMNA P02545 2/20 0.52
OPRK1 P41145 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
EPHX2 P34913 1/20 0.51
NAPRT Q6XQN6 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.44
PTGS2 P35354 1/20 0.44
KMT2A Q03164 1/20 0.44
GRM4 Q14833 1/20 0.43
KDR P35968 2/20 0.43
AURKB Q96GD4 1/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
GFER P55789 1/20 0.42
HDAC3 O15379 1/20 0.42

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
SCHEMBL28928009 0.79 HTT (0.60) KDM4EHTTLMNAOPRK1SMN1; SMN2
SCHEMBL2029476 0.76 MAPT (0.41) HTTLMNASMN1; SMN2TDP1L3MBTL1
SCHEMBL31644092 0.74 S1PR3 (0.66) KDM4EHTTLMNAOPRK1SMN1; SMN2
SCHEMBL27524142 0.73 ALDH1A1 (0.50) HTTLMNASMN1; SMN2TDP1L3MBTL1
SCHEMBL6789222 0.73 ACACB (0.57) KDM4EHTTLMNAOPRK1TDP1
SCHEMBL6794110 0.73 ACACB (0.57) KDM4EHTTLMNAOPRK1TDP1
SCHEMBL27583336 0.73 ACACB (0.57) KDM4EHTTLMNAOPRK1TDP1
SCHEMBL11020298 0.73 KDM4E (0.49) KDM4EHTTLMNASMN1; SMN2L3MBTL1
SCHEMBL8924030 0.72 LMNA (0.54) KDM4EHTTLMNAOPRK1SMN1; SMN2
SCHEMBL9848406 0.72 AKT1 (0.61) KDM4EHTTLMNAOPRK1SMN1; SMN2

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
WO-2003026664-A1 2-PHENYLAMINO-4- (5-PYRAZOLYLAMINO) -PYRAMIDINE DERIVATIVES AS KINASE INHIBITORS, IN PARTICULAR, SRC KINASE INHIBITORS BAYER CORPORATION (US) 2003-04-03 WO disclosed