SCHEMBL9635338

SCHEMBL9635338

C=CCOC(=O)c1cn(CCF)c2c(F)c(N3CCNCC3)c(F)cc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
ALDH1A1 P00352 6/20 0.47
HPGD P15428 5/20 0.47
HSD17B10 Q99714 5/20 0.47
PMP22 Q01453 1/20 0.46
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.42
BRD4 O60885 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
CYP2J2 P51589 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP2C9 P11712 1/20 0.41
ATP6V1B2 P21281 1/20 0.41
TBXA2R P21731 1/20 0.41
EDNRA P25101 1/20 0.41
TARBP2 Q15633 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TOP2A P11388 4/20 0.39
TOP2B Q02880 3/20 0.39

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
SCHEMBL9636861 0.91 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9635375 0.89 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL6305606 0.84 KDM4E (0.80) KDM4EALDH1A1HPGDHSD17B10PMP22
Hydrochloric Acid SCHEMBL10739298 0.83 KDM4E (0.79) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL11182877 0.83 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9636784 0.79 KDM4E (0.76) KDM4EALDH1A1HPGDHSD17B10PMP22
Hydrochloric Acid SCHEMBL11183248 0.79 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9633508 0.78 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL28410605 0.78 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL28417694 0.78 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10PMP22

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
EP-0195135-B1 A PROCESS FOR THE PREPARATION OF QUINOLINE CARBOXYLIC ACID DERIVATIVES KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1992-06-17 EP disclosed
EP-0195135-A1 A process for the preparation of quinoline carboxylic acid derivatives KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1986-09-24 EP disclosed