SCHEMBL6635539

SCHEMBL6635539

Cc1c(NC(=O)c2ccccc2F)ccc2nc(NC(C)(C)C(=O)N(C)CCc3ccccn3)oc(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.41
ELANE P08246 1/20 0.40
POLB P06746 3/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PTGFR P43088 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRM4 Q14833 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6638441 0.93 CTRB1 (0.42) CTRB1ELANEPOLBMEN1KMT2A
SCHEMBL6639210 0.93 CTRB1 (0.43) CTRB1ELANEPOLBMEN1KMT2A
SCHEMBL6640868 0.92 CTRB1 (0.40) CTRB1ELANEMEN1KMT2AHIF1A
SCHEMBL6638844 0.92 CTRB1 (0.41) CTRB1ELANEPOLBMAPTMEN1
SCHEMBL6637387 0.92 CTRB1 (0.41) CTRB1ELANEMEN1KMT2AHIF1A
SCHEMBL6637937 0.91 CTRB1 (0.40) CTRB1ELANEPOLBMAPTSMN1; SMN2
SCHEMBL6641497 0.90 CTRB1 (0.41) CTRB1ELANEMAPTSMN1; SMN2MEN1
SCHEMBL6635385 0.90 CTRB1 (0.44) CTRB1ELANEPOLBMAPTMEN1
SCHEMBL6641834 0.90 CTRB1 (0.45) CTRB1ELANEPOLBSMN1; SMN2MEN1
SCHEMBL6643755 0.89 MEN1 (0.39) CTRB1ELANEMAPTSMN1; SMN2MEN1

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