SCHEMBL8824643

SCHEMBL8824643

O=[N+]([O-])c1cccc(CNc2ncc[nH]2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
EGFR P00533 3/20 0.50
ALDH1A1 P00352 2/20 0.50
IGF1R P08069 2/20 0.48
KCNN3 Q9UGI6 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
TSHR P16473 1/20 0.47
PDE5A O76074 1/20 0.46
POLB P06746 2/20 0.46

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
SCHEMBL8824712 0.78 ROCK1 (0.54) MAPTMEN1KMT2AEGFRALDH1A1
SCHEMBL17911903 0.77 TAAR1 (0.55) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL8824655 0.76 MAPT (0.52) MAPTMEN1KMT2AEGFRALDH1A1
SCHEMBL1844588 0.76 GRM4 (0.51) KMT2AEGFRIGF1RKCNN3
SCHEMBL1845674 0.76 DYRK1A (0.50) ALDH1A1KDM4E
SCHEMBL1843509 0.76 CYP1A2 (0.47) MAPTMEN1KMT2AALDH1A1KCNN3
SCHEMBL2025299 0.76 RAB9A (0.63) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL20549245 0.76 FABP1 (0.58) MAPTMEN1KMT2AEGFRALDH1A1
SCHEMBL1848506 0.76 ADRA2A (0.50) MAPTEGFRALDH1A1IGF1RTSHR
SCHEMBL1847393 0.75 SMN1; SMN2 (0.51) MEN1KMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5681833-A ADMINSTERING FOR TREATMENT OF PEPTIC ULCER MERCK, SHARP & DOHME LTD. (GB) 1997-10-28 US disclosed
EP-0636123-A1 3-UREIDO SUBSTITUTED BENZODIAZEPIN-2-ONES HAVING CHOLECYSTOKININ AND/OR GASTRIN ANTAGONISTIC ACTIVITY AND THEIR USE IN THERAPY MERCK SHARP & DOHME LTD. (GB) 1995-02-01 EP disclosed
WO-1993019052-A1 3-UREIDO SUBSTITUTED BENZODIAZEPIN-2-ONES HAVING CHOLECYSTOKININ AND/OR GASTRIN ANTAGONISTIC ACTIVITY AND THEIR USE IN THERAPY MERCK SHARP & DOHME LIMITED (GB) 1993-09-30 WO disclosed