SCHEMBL17801432

SCHEMBL17801432

Cc1nc2c(Br)cccc2cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
RXFP1 Q9HBX9 2/20 0.42
HSD17B10 Q99714 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41

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
SCHEMBL29058294 0.83 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL6277586 0.82 KMT2A (0.55) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL7568792 0.80 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL17801474 0.78 MAPT (0.39) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL7547167 0.75 BACE1 (0.46) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL5781932 0.73 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10MYC
SCHEMBL20472500 0.73 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL30468364 0.73 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL6588228 0.73 MAPT (0.49) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL31716582 0.73 BACE1 (0.43) ALDH1A1MEN1KMT2AKDM4EHPGD

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
WO-2016087593-A1 NOVEL FUNGICIDAL QUINOLINYLAMIDINES SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 WO disclosed
WO-2016087593-A1 NOVEL FUNGICIDAL QUINOLINYLAMIDINES SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 WO disclosed