SCHEMBL6638441

SCHEMBL6638441

Cc1ccccc1C(=O)Nc1ccc2nc(NC(C)(C)C(=O)N(C)CCc3ccccn3)oc(=O)c2c1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.42
ELANE P08246 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.36
PTGFR P43088 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GRM4 Q14833 1/20 0.35
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6639210 0.93 CTRB1 (0.43) CTRB1ELANEMEN1KMT2AHIF1A
SCHEMBL6635539 0.93 CTRB1 (0.41) CTRB1ELANEMEN1KMT2AHIF1A
SCHEMBL6637387 0.93 CTRB1 (0.41) CTRB1ELANEMEN1KMT2AHIF1A
SCHEMBL6638844 0.93 CTRB1 (0.41) CTRB1ELANEMEN1KMT2AHIF1A
SCHEMBL6637937 0.91 CTRB1 (0.40) CTRB1ELANEMEN1KMT2AHIF1A
SCHEMBL6640868 0.91 CTRB1 (0.40) CTRB1ELANEMEN1KMT2AHIF1A
SCHEMBL6635385 0.91 CTRB1 (0.44) CTRB1ELANEMEN1KMT2AHIF1A
SCHEMBL6641834 0.91 CTRB1 (0.45) CTRB1ELANEMEN1KMT2AHIF1A
SCHEMBL6643755 0.90 MEN1 (0.39) CTRB1ELANEMEN1KMT2AALDH1A1
SCHEMBL6634627 0.89 CTRB1 (0.42) CTRB1ELANEMEN1KMT2AHIF1A

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