SCHEMBL6637518

SCHEMBL6637518

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(N(C)[C@@H](C)C(=O)NCc3ccncc3)oc(=O)c12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.53
ELANE P08246 1/20 0.53
KMT2A Q03164 1/20 0.36
BACE1 P56817 9/20 0.35
CYP17A1 P05093 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 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
SCHEMBL6638083 0.91 CTRB1 (0.52) CTRB1ELANEKMT2AALDH1A1CYP3A4
SCHEMBL6635088 0.89 CTRB1 (0.51) CTRB1ELANEBACE1ALDH1A1CYP3A4
SCHEMBL6641379 0.88 CTRB1 (0.53) CTRB1ELANEKMT2AALDH1A1MAPT
SCHEMBL6637258 0.86 CTRB1 (0.51) CTRB1ELANECYP17A1
SCHEMBL6635091 0.86 CTRB1 (0.54) CTRB1ELANEKMT2ABACE1CYP17A1
SCHEMBL6637522 0.84 CTRB1 (0.47) CTRB1ELANEKMT2ACYP17A1ALDH1A1
SCHEMBL6637009 0.83 CTRB1 (0.52) CTRB1ELANEKMT2AALDH1A1CYP3A4
SCHEMBL6400204 0.83 ELANE (0.65) CTRB1ELANEMAPTPOLB
SCHEMBL6634775 0.81 CTRB1 (0.50) CTRB1ELANEKMT2ACYP3A4LMNA
SCHEMBL6638871 0.79 ELANE (0.61) CTRB1ELANEKMT2ABACE1CYP17A1

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