SCHEMBL4430040

SCHEMBL4430040

Cc1ccc(Cl)nc1.Cc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
ATM Q13315 1/20 0.58
MAPT P10636 7/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
LMNA P02545 2/20 0.50
ALOX12 P18054 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SIRT6 Q8N6T7 1/20 0.50
GPR119 Q8TDV5 1/20 0.49
POLB P06746 2/20 0.47
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 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
SCHEMBL1019958 0.93 MEN1 (0.67) MEN1KMT2AATMMAPTSMN1; SMN2
SCHEMBL12240580 0.77 SIRT6 (0.74) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL8931734 0.77 MEN1 (0.62) MEN1KMT2AATMMAPTSMN1; SMN2
SCHEMBL1126953 0.75 MEN1 (0.64) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL8931637 0.74 MEN1 (0.70) MEN1KMT2AATMMAPTSMN1; SMN2
SCHEMBL22495422 0.74 MEN1 (0.62) MEN1KMT2AATMMAPTSMN1; SMN2
SCHEMBL22495404 0.74 MEN1 (0.62) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL22465858 0.74 KMT2A (1.00) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL1126486 0.74 SIRT6 (0.56) MEN1KMT2AATMMAPTSMN1; SMN2
SCHEMBL3440078 0.73 MEN1 (0.77) MEN1KMT2AATMMAPTALDH1A1

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-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 EP disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 WO disclosed