SCHEMBL7846831

SCHEMBL7846831

O=C(O)Cc1[nH]c2ccc(C#CCO)cc2c(=O)c1C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NHERF1 O14745 2/20 0.38
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 1/20 0.38
THRB P10828 2/20 0.37
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.35
AKR1B1 P15121 1/20 0.35

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
SCHEMBL6723476 0.72 SERPINE1 (0.46) MEN1KMT2ANHERF1THRBALDH1A1
SCHEMBL6698530 0.71 MEN1 (0.51) MEN1KMT2AMAPT
SCHEMBL6285021 0.71 L3MBTL1 (0.48)
SCHEMBL6286392 0.70 GAA (0.45) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL6699566 0.70 MEN1 (0.48) MEN1KMT2AMAPT
SCHEMBL6286358 0.70 ABCB1 (0.41) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL6668589 0.69 MAPT (0.61) MEN1KMT2AMAPT
SCHEMBL6690680 0.69 SMN1; SMN2 (0.44) KMT2ATHRBALDH1A1MAPT
SCHEMBL6682832 0.69 MMP3 (0.42) THRBALDH1A1MAPTHPGD
SCHEMBL6703017 0.69 MAPT (0.47) MEN1KMT2AMAPT

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-1140850-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP disclosed
WO-2000040561-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO disclosed