SCHEMBL9683104

SCHEMBL9683104

CSc1ccc(CNc2ccc([N+](=O)[O-])cc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
MEN1 O00255 10/20 0.55
KMT2A Q03164 10/20 0.55
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 1/20 0.55
CRHBP P24387 2/20 0.52
CRHR2 Q13324 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MITF O75030 1/20 0.51
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
RAB9A P51151 2/20 0.50
PKM P14618 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL6815029 0.82 KMT2A (0.70) MAPTMEN1KMT2AALDH1A1CRHBP
SCHEMBL9701292 0.80 MAPT (0.74) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7206916 0.79 MITF (0.62) MAPTMEN1KMT2AALDH1A1CRHBP
SCHEMBL9681404 0.74 MAPT (0.56) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL17538567 0.74 MEN1 (0.57) MAPTMEN1KMT2AALDH1A1CRHBP
SCHEMBL18610096 0.72 MAPT (0.71) MAPTMEN1KMT2AALDH1A1CRHBP
SCHEMBL15367493 0.72 MAPT (0.56) MAPTMEN1KMT2AALDH1A1CRHBP
SCHEMBL3750282 0.71 MEN1 (0.70) MAPTMEN1KMT2AALDH1A1CRHBP
SCHEMBL9213419 0.71 HSD17B10 (0.57) MAPTMEN1KMT2AALDH1A1CRHBP
SCHEMBL11656718 0.71 HSD17B10 (0.60) MAPTMEN1KMT2AALDH1A1CRHBP

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
US-5128359-A Benzimidazole and azabenzimidazole derivatives which are thromboxane receptor antagonists, their methods of preparation LABORATOIRES UPSA (FR) 1992-07-07 US disclosed