SCHEMBL29468705

SCHEMBL29468705

CCNc1c(Br)cccc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.38
TSHR P16473 3/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PGK1 P00558 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL28315214 1.00 DYRK1A (0.38) DYRK1ATSHRHPGDKDM4EHSD17B10
SCHEMBL25990458 0.79 DYRK1A (0.41) DYRK1ATSHRHPGDKDM4EALDH1A1
SCHEMBL28327209 0.79 CTSS (0.34) HPGDKDM4ENPC1RAB9AALDH1A1
SCHEMBL27957289 0.79 TSHR (0.42) TSHRHPGDKDM4EHSD17B10PGK1
Hydrochloric Acid SCHEMBL27701462 0.77 TSHR (0.47) TSHRHPGDKDM4EHSD17B10PGK1
SCHEMBL2693979 0.77 PGK1 (0.34) TSHRPGK1ADORA2AADORA1CYP3A4
SCHEMBL2694746 0.76 PGK1 (0.33) PGK1
SCHEMBL27346612 0.76 KCNH2 (0.34) TSHRHPGDKDM4EHSD17B10PGK1
SCHEMBL976427 0.76 PIP4K2A (0.39) DYRK1ATSHRHPGDKDM4EALDH1A1
SCHEMBL30674328 0.75 DYRK1A (0.38) DYRK1ATSHRKDM4ENPC1RAB9A

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-4228761-A1 2-OXO-DIHYDROQUINOLINE-3-CARBOXAMIDE DERIVATIVES AS GABA TYPE A RECEPTOR MODULATORS University College Cardiff Consultants Limited (GB) 2023-08-23 EP disclosed
CN-116472042-A 2-oxo-dihydroquinoline-3-carboxamide derivatives as modulators of GABA A type receptors 加的夫大学学院咨询有限公司 2023-07-21 CN disclosed
WO-2022079432-A1 2-OXO-DIHYDROQUINOLINE-3-CARBOXAMIDE DERIVATIVES AS GABA TYPE A RECEPTOR MODULATORS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2022-04-21 WO disclosed