SCHEMBL6637372

SCHEMBL6637372

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(N(C)[C@@H](C)C(=O)N(C)Cc3ccccn3)oc(=O)c12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.53
CTRB1 P17538 3/20 0.53
TDP2 O95551 1/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TSHR P16473 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
CA2 P00918 1/20 0.31
MMP2 P08253 2/20 0.31
MMP13 P45452 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
CYP1A2 P05177 1/20 0.31
BMP1 P13497 1/20 0.31
P2RX7 Q99572 1/20 0.30

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
SCHEMBL6641428 0.92 CTRB1 (0.52) ELANECTRB1TDP2NPC1RAB9A
SCHEMBL6639603 0.89 CTRB1 (0.50) ELANECTRB1TDP2RAB9ATSHR
SCHEMBL6401408 0.88 CTRB1 (0.54) ELANECTRB1TDP2TSHREGFR
SCHEMBL6641379 0.88 CTRB1 (0.53) ELANECTRB1TSHRCYP1A2
SCHEMBL6639608 0.87 CTRB1 (0.53) ELANECTRB1TDP2EGFRERBB2
SCHEMBL6637009 0.86 CTRB1 (0.52) ELANECTRB1TDP2NPC1RAB9A
SCHEMBL6635009 0.86 ELANE (0.49) ELANECTRB1TDP2NPC1RAB9A
SCHEMBL6637376 0.85 CTRB1 (0.49) ELANECTRB1TDP2NPC1RAB9A
SCHEMBL6639306 0.85 ELANE (0.60) ELANECTRB1TDP2MMP2MMP13
SCHEMBL6637258 0.83 CTRB1 (0.51) ELANECTRB1P2RX7

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