SCHEMBL8136179

SCHEMBL8136179

CCOC(=O)c1cn(-c2ccc(F)cn2)c2nc(N3CCNC(C)C3)c(F)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.42
CYP2C9 P11712 1/20 0.42
ATP6V1B2 P21281 1/20 0.42
TBXA2R P21731 1/20 0.42
EDNRA P25101 1/20 0.42
TARBP2 Q15633 1/20 0.42
EPHA2 P29317 1/20 0.42
FLT4 P35916 1/20 0.42
GSK3B P49841 1/20 0.42
RARB P10826 1/20 0.42
TBXAS1 P24557 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KDM4E B2RXH2 7/20 0.41
HPGD P15428 7/20 0.41
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 6/20 0.41
PMP22 Q01453 1/20 0.41
POLB P06746 2/20 0.40
XBP1 P17861 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
SCHEMBL8133337 0.92 EPHA2 (0.45) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL8138591 0.90 LMNA (0.54) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL8129992 0.89 KMT2A (0.55) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
Hydrochloric Acid SCHEMBL8136151 0.88 KMT2A (0.55) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL8137980 0.86 KMT2A (0.48) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL8122247 0.85 KDM4E (0.47) KMT2ALMNAKDM4EHPGDALDH1A1
SCHEMBL8139827 0.85 KDM4E (0.55) KMT2AKDM4EHPGDALDH1A1HSD17B10
SCHEMBL8132981 0.84 KMT2A (0.48) KMT2ALMNAEPHA2FLT4GSK3B
SCHEMBL8134115 0.80 EPHA2 (0.57) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL8133425 0.80 STAT3 (0.42) KMT2ALMNAKDM4EHPGDALDH1A1

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 3 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
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