SCHEMBL8328993

SCHEMBL8328993

Cc1ccc2nc(-c3cc(Cl)c(Cl)cc3C(=O)O)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 4/20 0.48
DHODH Q02127 5/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
EIF4E P06730 3/20 0.43
CYP1A2 P05177 1/20 0.41
SORT1 Q99523 1/20 0.40
NCK1 P16333 1/20 0.40
BACE1 P56817 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL8329204 0.84 KDM4E (0.63) MEN1KMT2AALDH1A1DHODHKDM4E
SCHEMBL8322442 0.81 KDM4E (0.55) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL8326990 0.77 RAB9A (0.53) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL8323296 0.76 MEN1 (0.44) MEN1KMT2AALDH1A1DHODHKDM4E
SCHEMBL8322325 0.73 MEN1 (0.44) MEN1KMT2AALDH1A1DHODHKDM4E
SCHEMBL16945099 0.72 KMT2A (0.71) MEN1KMT2AALDH1A1DHODHKDM4E
SCHEMBL23247265 0.72 CYP1A2 (0.68) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL8330122 0.71 RARB (0.53) MEN1KMT2AALDH1A1DHODHKDM4E
SCHEMBL8913574 0.71 BCAT2 (0.45) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL13298969 0.70 CYP1A2 (0.55) MEN1KMT2AALDH1A1KDM4ECYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709377-B1 Process for producing quinolin-2-yl benzoic acid compounds ASAHI GLASS CO LTD (JP) 1999-09-29 EP disclosed
US-5780634-A Process for producing 2-(carboxyphenyl)-4-quinolinecarboxylic acid compounds THE GREEN CROSS CORPORATION (JP) 1998-07-14 US disclosed
EP-0709377-A1 Process for producing quinolin-2-yl benzoic acid compounds ASAHI GLASS COMPANY LTD. (JP) 1996-05-01 EP disclosed