SCHEMBL1018619

SCHEMBL1018619

CCc1ccnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
SIRT6 Q8N6T7 1/20 0.52
MAPT P10636 7/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL1126486 0.83 SIRT6 (0.56) POLBSIRT6MAPTSMN1; SMN2ALDH1A1
SCHEMBL942122 0.80 MAPT (0.50) POLBMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4434686 0.78 POLB (0.45) POLBSIRT6MAPTMAPK1SMN1; SMN2
SCHEMBL22495304 0.78 SIRT6 (0.49) POLBSIRT6MAPTMAPK1SMN1; SMN2
SCHEMBL1646405 0.76 ENPP2 (0.49) POLBSIRT6MAPTSMN1; SMN2ALDH1A1
SCHEMBL1127229 0.76 KMT2A (0.66) POLBSIRT6MAPTSMN1; SMN2ALDH1A1
SCHEMBL12503866 0.75 HRH4 (0.56) ALDH1A1
SCHEMBL10680801 0.75 SIRT6 (0.59) POLBSIRT6MAPTSMN1; SMN2ALDH1A1
SCHEMBL10274925 0.75 HRH4 (0.51) MAPTSMN1; SMN2ALDH1A1
SCHEMBL15271381 0.74 SIRT6 (0.81) POLBSIRT6MAPTSMN1; SMN2ALDH1A1

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-2097413-B1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2013-12-25 EP disclosed
EP-2173749-B1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LTD (GB) 2011-01-12 EP disclosed