SCHEMBL7002058

SCHEMBL7002058

O=C(c1ccccc1)c1c(-c2ccccc2)c(=O)[nH]c2ccc(Cl)cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
CSF1R P07333 5/20 0.60
ROCK2 O75116 1/20 0.60
MAP4K4 O95819 1/20 0.60
LCK P06239 1/20 0.60
PIM1 P11309 1/20 0.60
RPS6KB1 P23443 1/20 0.60
CDK2 P24941 1/20 0.60
MAPK1 P28482 1/20 0.60
EPHA2 P29317 1/20 0.60
FLT3 P36888 1/20 0.60
FRK P42685 1/20 0.60
CLK2 P49760 1/20 0.60
GSK3A P49840 1/20 0.60
GSK3B P49841 1/20 0.60
LIMK1 P53667 1/20 0.60
STK3 Q13188 1/20 0.60
CAMK2B Q13554 1/20 0.60
CAMK2G Q13555 1/20 0.60
CAMK2D Q13557 1/20 0.60

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
SCHEMBL8184953 0.88 KDM4E (0.69) KDM4ECSF1RROCK2MAP4K4LCK
SCHEMBL4851140 0.82 CSF1R (0.76) KDM4ECSF1RROCK2MAP4K4LCK
SCHEMBL10647724 0.81 KDM4E (0.63) KDM4ECSF1RMAPTMEN1KMT2A
SCHEMBL4847744 0.81 MAP2 (0.72) KDM4ECSF1RROCK2MAP4K4LCK
Hydrochloric Acid SCHEMBL4854389 0.80 MAP2 (0.71) KDM4ECSF1RROCK2MAP4K4LCK
SCHEMBL4854377 0.80 CSF1R (0.69) KDM4ECSF1RROCK2MAP4K4LCK
SCHEMBL6059495 0.79 MAP2 (0.74) KDM4ECSF1RROCK2MAP4K4LCK
SCHEMBL30043560 0.79 MAP2 (0.74) KDM4ECSF1RROCK2MAP4K4LCK
SCHEMBL8924448 0.78 KDM4E (0.59) KDM4EMAP2MEN1KMT2ACA1
SCHEMBL24095581 0.78 KDM4E (0.79) KDM4ECSF1RROCK2MAP4K4LCK

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-1003724-B1 SUBSTITUTED QUINOLINE DERIVATIVES WITH ANTIVIRAL ACTION AVENTIS PHARMA GMBH (DE) 2003-02-12 EP disclosed
US-6114349-A Substituted quinoline derivatives with antiviral action HOECHST AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed