SCHEMBL1822948

SCHEMBL1822948

NC(=O)Oc1[nH]c2cc(CNCc3ccc([N+](=O)[O-])cc3)ccc2c1Sc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 4/20 0.40
TP53 P04637 3/20 0.40
POLB P06746 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PTPRF P10586 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN11 Q06124 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36

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
SCHEMBL1824983 0.93 CYP2C9 (0.41) MEN1KMT2AMAPTTP53POLB
SCHEMBL1826130 0.90 TP53 (0.44) MEN1KMT2AMAPTTP53POLB
SCHEMBL1825505 0.88 ALDH1A1 (0.40) MEN1KMT2AMAPTTP53POLB
SCHEMBL1822442 0.88 TP53 (0.42) MEN1KMT2AMAPTTP53POLB
SCHEMBL1826315 0.88 TP53 (0.42) MEN1KMT2AMAPTTP53POLB
SCHEMBL1826051 0.87 TP53 (0.36) MEN1KMT2AMAPTTP53POLB
SCHEMBL1824783 0.87 MAPT (0.44) MEN1KMT2AMAPTTP53POLB
SCHEMBL1823959 0.87 TP53 (0.48) MEN1KMT2AMAPTTP53POLB
SCHEMBL1823558 0.86 MAPT (0.35) MEN1KMT2AMAPTTP53POLB
SCHEMBL1822579 0.86 TP53 (0.41) MEN1KMT2AMAPTTP53POLB

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
EP-1794122-B1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMA INC (US) 2011-05-04 EP claimed