SCHEMBL671387

SCHEMBL671387

NC(=O)c1cc([N+](=O)[O-])c(N)nc1OCCOC(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP3A4 P08684 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
CNR1 P21554 1/20 0.32
CDK5 Q00535 2/20 0.31
CDK5R1 Q15078 1/20 0.31
CDC7 O00311 1/20 0.31
PLK4 O00444 1/20 0.31
CHEK1 O14757 1/20 0.31
DCLK1 O15075 1/20 0.31
CHUK O15111 1/20 0.31
PDPK1 O15530 1/20 0.31
DAPK3 O43293 1/20 0.31
DYRK3 O43781 1/20 0.31

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
SCHEMBL11908136 0.78 ALDH1A1 (0.37) ALDH1A1CNR1
SCHEMBL11908138 0.78 ALDH1A1 (0.37) ALDH1A1CNR1
SCHEMBL670632 0.75 DTYMK (0.36) ALDH1A1LMNACYP3A4
SCHEMBL671248 0.74 KMT2A (0.36) ALDH1A1LMNACYP3A4PRKACA
SCHEMBL2301352 0.74 PDGFRB (0.43) ALDH1A1LMNAMAPTSMN1; SMN2RAB9A
SCHEMBL672138 0.72 PDGFRB (0.41) ALDH1A1LMNAMAPTSMN1; SMN2CNR1
SCHEMBL11985300 0.71 MAPT (0.38) ALDH1A1LMNAMAPTCYP3A4HTT
SCHEMBL27036920 0.70 TDP1 (0.34) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL11980764 0.70 ALDH1A1 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2CYP3A4
SCHEMBL21616388 0.69 PRSS1 (0.41) LMNAMAPTSMN1; SMN2NPC1RAB9A

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-2606046-A1 2-(ARYLAMINO)-3H-IMIDAZO[4,5-B]PYRIDINE-6-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MPGES-1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-06-26 EP disclosed
WO-2012022792-A1 2-(ARYLAMINO)-3H-IMIDAZO[4,5-B]PYRIDINE-6-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MPGES-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed