SCHEMBL9034716

SCHEMBL9034716

CC1Cc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.71
ALDH1A1 P00352 6/20 0.71
HPGD P15428 4/20 0.71
HSD17B10 Q99714 3/20 0.71
ALB P02768 1/20 0.71
HRH3 Q9Y5N1 1/20 0.71
TUBB4A P04350 1/20 0.69
POLB P06746 1/20 0.69
TUBB P07437 1/20 0.69
TUBA3C P0DPH7 1/20 0.69
TUBA1B P68363 1/20 0.69
TUBA4A P68366 1/20 0.69
TUBB4B P68371 1/20 0.69
TUBB3 Q13509 1/20 0.69
TUBB2A Q13885 1/20 0.69
TUBB8 Q3ZCM7 1/20 0.69
TUBA3E Q6PEY2 1/20 0.69
TUBA1A Q71U36 1/20 0.69
SLC47A1 Q96FL8 1/20 0.69
TUBA1C Q9BQE3 1/20 0.69

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
SCHEMBL9582683 1.00 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9581753 1.00 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10ALB
Hydrochloric Acid SCHEMBL9035040 0.99 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10ALB
Hydrochloric Acid SCHEMBL9582997 0.99 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL10996910 0.92 LMNA (0.68) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL11000457 0.91 LMNA (0.67) KDM4EALDH1A1HPGDHSD17B10ALB
Vebufloxacin SCHEMBL29391678 0.90 LMNA (0.82) KDM4EALDH1A1HPGDHSD17B10ALB
Vebufloxacin SCHEMBL866602 0.90 LMNA (0.82) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL10997327 0.89 LMNA (0.63) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9033947 0.89 LMNA (0.60) KDM4EALDH1A1HPGDHSD17B10ALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0390135-B1 Pyrroloquinoline derivatives, antimicrobial agents using the same and process for preparing the same OTSUKA PHARMA CO LTD (JP) 1996-06-05 EP claimed
US-5185337-A Pyrroloquinoline derivatives and pharmaceutical compositions for antimicrobial use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-02-09 US claimed
US-4416884-A ANTIBIOTIC, BACTERICIDE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-22 US claimed
JP-4139126-A None JP disclosed
EP-0390135-B1 Pyrroloquinoline derivatives, antimicrobial agents using the same and process for preparing the same OTSUKA PHARMA CO LTD (JP) 1996-06-05 EP disclosed
US-5185337-A Pyrroloquinoline derivatives and pharmaceutical compositions for antimicrobial use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-02-09 US disclosed
JP-H04139126-A ANTIBACTERIAL AGENT OTSUKA PHARMACEUT CO LTD 1992-05-13 JP disclosed
EP-0390135-A1 Pyrroloquinoline derivatives, antimicrobial agents using the same and process for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-10-03 EP disclosed
EP-0115334-B1 BENZO-HETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-07-22 EP disclosed
US-4594347-A MICROBIOCIDES OTSUKA PHARMACEUTICAL CO. LIMITED (JP) 1986-06-10 US disclosed
EP-0115334-A1 Benzo-heterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-08 EP disclosed
US-4416884-A ANTIBIOTIC, BACTERICIDE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-22 US disclosed