SCHEMBL10415768

SCHEMBL10415768

CCn1cc(C(=O)O)c(=O)c2c(C)c(F)c(N3CC(C)NC(C)C3)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.58
HRH3 Q9Y5N1 1/20 0.58
HSD17B10 Q99714 6/20 0.48
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 5/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
PMP22 Q01453 1/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
HTT P42858 2/20 0.48
BRD4 O60885 1/20 0.48
CYP2J2 P51589 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
FOXO1 Q12778 1/20 0.47
DRD3 P35462 1/20 0.46
CACNA1F O60840 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL9088353 0.89 KCNH2 (0.74) KCNH2HRH3HSD17B10KDM4EALDH1A1
SCHEMBL10586588 0.84 KCNH2 (0.81) KCNH2HRH3HSD17B10KDM4EALDH1A1
SCHEMBL10586593 0.84 KCNH2 (0.81) KCNH2HRH3HSD17B10KDM4EALDH1A1
SCHEMBL8554870 0.84 HSD17B10 (0.68) KCNH2HRH3HSD17B10KDM4EALDH1A1
SCHEMBL9085249 0.83 KCNH2 (0.58) KCNH2HRH3HSD17B10KDM4EALDH1A1
SCHEMBL9086828 0.82 KCNH2 (0.54) KCNH2HRH3HSD17B10KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8111805 0.82 KCNH2 (0.54) KCNH2HRH3HSD17B10KDM4EALDH1A1
Hydrochloric Acid SCHEMBL10879015 0.81 KDM4E (0.70) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL8623001 0.80 KCNH2 (0.54) KCNH2HRH3HSD17B10KDM4EALDH1A1
SCHEMBL9088309 0.80 KCNH2 (0.71) KCNH2HRH3HSD17B10KDM4EALDH1A1

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
US-4920120-A 3-CARBOXY, 4-OXO, 6-FLUORO, 7-NITROGEN-CONTAINING RING 1,4-DIHYDRO-1,8-NAPHTHYRIDINES WARNER-LAMBERT COMPANY (US) 1990-04-24 US disclosed
EP-0326891-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-08-09 EP disclosed