SCHEMBL7840950

SCHEMBL7840950

COc1ccc(C[C@H](Nc2nc3ccc(CNC(=O)O)c(C)c3c(=O)o2)C(=O)N2CCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.43
ELANE P08246 12/20 0.41
CALCRL Q16602 1/20 0.38
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.35

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
SCHEMBL7831962 0.94 CTRB1 (0.42) CTRB1ELANEKMT2ANPC1RAB9A
SCHEMBL7451745 0.91 ELANE (0.43) CTRB1ELANECALCRLKMT2ANPC1
SCHEMBL7842073 0.89 CTRB1 (0.47) CTRB1ELANECALCRLKMT2ANPC1
SCHEMBL6799137 0.87 CTRB1 (0.39) CTRB1ELANECALCRLKMT2ANPC1
SCHEMBL6500697 0.85 LMNA (0.40) CTRB1ELANEKMT2ATSHR
SCHEMBL27364609 0.84 ELANE (0.58) CTRB1ELANE
SCHEMBL7845411 0.82 ELANE (0.46) CTRB1ELANE
SCHEMBL6498129 0.81 ELANE (0.44) CTRB1ELANENPC1
SCHEMBL7840487 0.81 CTRB1 (0.53) CTRB1ELANEKMT2A
SCHEMBL6809994 0.81 CTRB1 (0.38) CTRB1ELANEKMT2ANPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828721-B1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS SEARLE & CO (US) 2001-11-14 EP claimed