SCHEMBL6636149

SCHEMBL6636149

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(NC(C)(C)C(=O)N(C)CCc3ccncc3)oc(=O)c12

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.53
ELANE P08246 3/20 0.53
CYP17A1 P05093 3/20 0.36
LCK P06239 1/20 0.33
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL6638795 0.93 ELANE (0.61) CTRB1ELANELCKP2RX7
SCHEMBL6634354 0.91 CTRB1 (0.53) CTRB1ELANEP2RX7
SCHEMBL7449565 0.88 ELANE (0.58) CTRB1ELANELCKP2RX7
SCHEMBL6640343 0.87 CTRB1 (0.55) CTRB1ELANE
SCHEMBL6637178 0.86 CTRB1 (0.51) CTRB1ELANECYP17A1LCK
SCHEMBL6636428 0.86 ELANE (0.57) CTRB1ELANECYP17A1LCKCCNC
SCHEMBL6637693 0.85 CTRB1 (0.49) CTRB1ELANECYP17A1LCK
SCHEMBL6638394 0.84 CTRB1 (0.56) CTRB1ELANECYP17A1LCK
SCHEMBL6638831 0.84 CTRB1 (0.54) CTRB1ELANEP2RX7
SCHEMBL6640355 0.84 ELANE (0.53) CTRB1ELANECYP17A1LCK

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
US-20040116420-A1 Remedial agent for viral infectious disease ASAHI KASEI PHARMA CORPORATION (JP) 2004-06-17 US disclosed
EP-1403269-A1 REMEDIAL AGENT FOR VIRAL INFECTIOUS DISEASE Asahi Kasei Pharma Corporation (JP) 2004-03-31 EP disclosed