SCHEMBL6635385

SCHEMBL6635385

Cc1c(NC(=O)c2ccccc2)ccc2nc(NC(C)(C)C(=O)N(C)CCc3ccccn3)oc(=O)c12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.44
ELANE P08246 2/20 0.43
PTGFR P43088 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.35
MAPK14 Q16539 2/20 0.34
SMO Q99835 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 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
SCHEMBL6634627 0.95 CTRB1 (0.42) CTRB1ELANEPTGFRMEN1KMT2A
SCHEMBL6642911 0.95 CTRB1 (0.41) CTRB1ELANEPTGFRMEN1KMT2A
SCHEMBL6641497 0.94 CTRB1 (0.41) CTRB1ELANEPTGFRMEN1KMT2A
SCHEMBL6635755 0.94 PTGFR (0.41) CTRB1ELANEPTGFRMEN1KMT2A
SCHEMBL6635398 0.94 CTRB1 (0.41) CTRB1ELANEPTGFRMEN1KMT2A
SCHEMBL6638530 0.93 CTRB1 (0.40) CTRB1ELANEPTGFRMEN1KMT2A
SCHEMBL6635324 0.93 CTRB1 (0.40) CTRB1ELANEPTGFRMEN1KMT2A
SCHEMBL6642881 0.93 CTRB1 (0.40) CTRB1ELANEPTGFRMEN1KMT2A
SCHEMBL6638224 0.93 CTRB1 (0.40) CTRB1ELANEPTGFRMEN1KMT2A
SCHEMBL6637122 0.93 HIF1A (0.42) CTRB1ELANEMEN1KMT2APOLB

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