SCHEMBL8138591

SCHEMBL8138591

CCOC(=O)c1cn(-c2ccc(F)cn2)c2nc(N3CCNCC3)c(F)cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
CYP2C9 P11712 1/20 0.54
ATP6V1B2 P21281 1/20 0.54
TBXA2R P21731 1/20 0.54
EDNRA P25101 1/20 0.54
TARBP2 Q15633 1/20 0.54
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 5/20 0.41
EPHA2 P29317 1/20 0.41
FLT4 P35916 1/20 0.41
GSK3B P49841 1/20 0.41
RARB P10826 1/20 0.41
TBXAS1 P24557 1/20 0.41
SLC6A3 Q01959 1/20 0.41
NMT2 O60551 1/20 0.40
NMT1 P30419 1/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 4/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL8137980 0.91 KMT2A (0.48) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8136179 0.90 KMT2A (0.46) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL5571971 0.87 KMT2A (0.57) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8137023 0.87 LMNA (0.62) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8133337 0.87 EPHA2 (0.45) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Hydrochloric Acid SCHEMBL8137291 0.86 LMNA (0.61) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8128846 0.84 KDM4E (0.56) LMNACYP2C9KMT2AALDH1A1NMT2
SCHEMBL8135128 0.84 KMT2A (0.49) LMNAKMT2AALDH1A1NMT2NMT1
SCHEMBL8132981 0.83 KMT2A (0.48) LMNAKMT2AALDH1A1EPHA2FLT4
SCHEMBL8133425 0.83 STAT3 (0.42) LMNAKMT2AALDH1A1KDM4EHPGD

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
EP-0713487-B1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES DONG WHA PHARM IND CO LTD (KR) 2000-04-19 EP disclosed
EP-0713487-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES DONG WHA PHARMACEUTICAL INDUSTRIAL CO. LTD. (KR) 1996-05-29 EP disclosed
US-5496947-A BACTERICIDES DONG WHA PHARMACEUTICAL INDUSTRIAL CO., LTD. (KR) 1996-03-05 US disclosed
WO-1995005373-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES DONG WHA PHARMACEUTICAL INDUSTRIAL CO., LTD. (KR) 1995-02-23 WO disclosed