SCHEMBL790646

SCHEMBL790646

COc1ccc(CNc2nc3ccc(-c4cccc(NC(=O)C5CCCC5)c4)cc3cc2-c2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.47
F10 P00742 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
CDC25C P30307 1/20 0.43
DUSP3 P51452 1/20 0.43
GBA1 P04062 1/20 0.42
GLA P06280 1/20 0.42
LMNA P02545 1/20 0.42
STAT6 P42226 1/20 0.41
ULK1 O75385 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
SCHEMBL790621 0.92 KDR (0.46) KDRF10MEN1KMT2AALDH1A1
SCHEMBL789915 0.88 RAB9A (0.50) KDRMEN1KMT2ARAB9AMAPT
SCHEMBL790392 0.87 KDR (0.48) KDRRAB9AMAPTLMNA
SCHEMBL790093 0.85 SMN1; SMN2 (0.48) KDRMEN1KMT2AALDH1A1RAB9A
SCHEMBL790416 0.85 MRGPRX4 (0.50) KDRMEN1KMT2AALDH1A1RAB9A
SCHEMBL791199 0.83 RAB9A (0.50) KDRRAB9ALMNASTAT6
SCHEMBL791145 0.81 KDR (0.46) KDRMEN1KMT2ARAB9AMAPT
SCHEMBL807273 0.80 ALDH1A1 (0.53) ALDH1A1RAB9AHPGDHSD17B10GBA1
Formic Acid SCHEMBL790534 0.78 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10GBA1GLA
SCHEMBL789889 0.77 RAB9A (0.48) KDRRAB9ASTAT6

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
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed