SCHEMBL6638530

SCHEMBL6638530

Cc1c(NC(=O)c2ccc(CCl)cc2)ccc2nc(NC(C)(C)C(=O)N(C)CCc3ccccn3)oc(=O)c12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.40
ELANE P08246 1/20 0.39
ALDH1A1 P00352 3/20 0.36
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
HIF1A Q16665 1/20 0.35
PTGFR P43088 1/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PDE7B Q9NP56 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
SCHEMBL6635324 0.94 CTRB1 (0.40) CTRB1ELANEALDH1A1CTNNB1TCF7L2
SCHEMBL6634507 0.94 CTRB1 (0.40) CTRB1ELANEALDH1A1CTNNB1TCF7L2
SCHEMBL6635398 0.93 CTRB1 (0.41) CTRB1ELANEALDH1A1CTNNB1TCF7L2
SCHEMBL6634627 0.93 CTRB1 (0.42) CTRB1ELANEALDH1A1CTNNB1TCF7L2
SCHEMBL6635385 0.93 CTRB1 (0.44) CTRB1ELANEALDH1A1MEN1KMT2A
SCHEMBL6678814 0.93 CTRB1 (0.39) CTRB1ELANEALDH1A1MEN1KMT2A
SCHEMBL6642911 0.93 CTRB1 (0.41) CTRB1ELANEALDH1A1MEN1KMT2A
SCHEMBL6637368 0.92 CTRB1 (0.40) CTRB1ELANEALDH1A1CTNNB1TCF7L2
SCHEMBL6641497 0.92 CTRB1 (0.41) CTRB1ELANEALDH1A1CTNNB1TCF7L2
SCHEMBL6635755 0.92 PTGFR (0.41) CTRB1ELANEALDH1A1CTNNB1TCF7L2

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