SCHEMBL7097769

SCHEMBL7097769

CCc1nc2cc([N+](=O)[O-])ccc2n1C(CC(C)C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.44
ALDH1A1 P00352 7/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 2/20 0.42
PKM P14618 3/20 0.41
NPC1 O15118 1/20 0.41
NPBWR1 P48145 1/20 0.41
RAB9A P51151 1/20 0.41
MCHR1 Q99705 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 4/20 0.40
CNR2 P34972 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
CYP2D6 P10635 1/20 0.39
RECQL P46063 1/20 0.38

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
SCHEMBL7096854 0.81 APAF1 (0.39)
SCHEMBL7096051 0.81 PPARG (0.43)
SCHEMBL7098112 0.78 AGTR1 (0.41) KMT2ANPC1RAB9AMEN1CNR2
SCHEMBL7099617 0.76 TP53 (0.43) KMT2AALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL7097958 0.75 PPARG (0.38) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL7102589 0.74 APAF1 (0.36)
SCHEMBL30806614 0.68 DCTPP1 (0.47) KMT2AALDH1A1LMNAMAPTPKM
SCHEMBL27599829 0.67 KMT2A (0.49) KMT2AALDH1A1LMNAMAPTNPC1
SCHEMBL4981853 0.67 CRHBP (0.54) KMT2AALDH1A1LMNAMAPTPKM
SCHEMBL5112310 0.67 GNRHR (0.43) KMT2AALDH1A1LMNAMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326864-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
WO-2002032900-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed