SCHEMBL7433737

SCHEMBL7433737

O=C(O)c1cc(=O)n(-c2ccccc2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.54
HTR3B O95264 2/20 0.54
HTR3A P46098 2/20 0.54
HTR3D Q70Z44 2/20 0.54
HTR3C Q8WXA8 2/20 0.54
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 2/20 0.51
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
KDR P35968 1/20 0.50
ATM Q13315 1/20 0.50
KMT2A Q03164 2/20 0.49
TSHR P16473 2/20 0.46
NOTUM Q6P988 1/20 0.46
FOLH1 Q04609 1/20 0.46
PGR P06401 1/20 0.45
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43

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
SCHEMBL4987077 0.80 EDNRA (0.63) ALDH1A1KDM4EPOLBMAPT
SCHEMBL4190262 0.79 ALDH1A1 (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2921888 0.78 KDM4E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11313273 0.78 KDM4E (0.52) ALDH1A1KDM4EHSD17B10GAAL3MBTL1
SCHEMBL11469525 0.76 KDR (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11478519 0.76 KDR (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6998519 0.76 KDR (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL378029 0.76 KDM4E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7430518 0.74 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL23259754 0.74 KDM4E (0.56) ALDH1A1KDM4EGAAL3MBTL1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114349-A Substituted quinoline derivatives with antiviral action HOECHST AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
EP-0458636-B1 Antiemetic and migraine suppressing heterocyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO KK (JP) 1995-07-12 EP disclosed
US-5248684-A CERTAIN 2-OXO-QUINOLINE CARBOXYLATES OR CORRESPONDING CARBOXAMIDES USEFUL AS ANTI-EMETICS AND SUPPRESSANTS OF MIGRAINE KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-28 US disclosed
EP-0458636-A1 Antiemetic and migraine suppressing heterocyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD (JP) 1991-11-27 EP disclosed