SCHEMBL8102541

SCHEMBL8102541

Cc1c(F)c(N2CCC(F)CC2)cc2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.72
HRH3 Q9Y5N1 1/20 0.72
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
TOP2A P11388 4/20 0.53
TOP2B Q02880 4/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
MAPT P10636 1/20 0.52
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PIK3CD O00329 3/20 0.46
PIK3R1 P27986 3/20 0.46
PIK3CA P42336 3/20 0.46
PIK3CG P48736 3/20 0.46
POLB P06746 2/20 0.44
CHRM2 P08172 1/20 0.44

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
SCHEMBL8111734 0.93 KCNH2 (0.71) KCNH2HRH3ALDH1A1KDM4ETOP2A
SCHEMBL8557535 0.92 KCNH2 (0.70) KCNH2HRH3ALDH1A1KDM4ETOP2A
SCHEMBL8118056 0.92 KCNH2 (0.72) KCNH2HRH3ALDH1A1KDM4ETOP2A
SCHEMBL8556904 0.91 KCNH2 (0.71) KCNH2HRH3ALDH1A1KDM4ETOP2A
SCHEMBL8110519 0.90 KCNH2 (0.73) KCNH2HRH3ALDH1A1KDM4ETOP2A
SCHEMBL8554680 0.90 KCNH2 (0.79) KCNH2HRH3ALDH1A1KDM4ETOP2A
SCHEMBL8553398 0.89 KDM4E (0.69) KCNH2HRH3ALDH1A1KDM4ETOP2A
SCHEMBL8116937 0.87 KCNH2 (0.72) KCNH2HRH3ALDH1A1KDM4ETOP2A
SCHEMBL9095957 0.85 KCNH2 (0.70) KCNH2HRH3ALDH1A1KDM4ETOP2A
SCHEMBL10586593 0.85 KCNH2 (0.81) KCNH2HRH3ALDH1A1KDM4ETOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565132-B1 Benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 2000-10-25 EP disclosed
US-5811576-A 1-CARBOXY-2-LOWERALKYL-3,4,6-TRI(HALO)BENZENES; GRAMPOSITIVE AND-NEGATIVE BACTERIA; INFECTIONS; STERILIZATION OF MEDICAL EQUIPMENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-09-22 US disclosed
US-5723648-A Intermediates for anti-microbial benzoheterocyclic compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-03-03 US disclosed
EP-0823413-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed
US-5563138-A 4-OXOQUINOLINE-3-CARBOXYLIC ACID COMPOUNDS HAVING ANTIMICROBIAL ACTIVITY OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-10-08 US disclosed
US-5290934-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-03-01 US disclosed
EP-0565132-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-10-13 EP disclosed
EP-0287951-A2 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-10-26 EP disclosed