Sugi Predict

Sugi Predict / Compounds / SCHEMBL6636633

SCHEMBL6636633

SCHEMBL6636633

CCN(C(=O)N(C)CCc1ccncc1)c1nc2ccc(NC(=O)OC(C)(C)C)c(C)c2c(=O)o1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 2/20 0.46
▸ ELANE P08246 1/20 0.46
▸ CYP17A1 P05093 3/20 0.35
▸ CTSK P43235 1/20 0.33
▸ P2RX7 Q99572 1/20 0.31

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
SCHEMBL6637653 0.92 CTRB1 (0.51) CTRB1ELANECYP17A1CTSKP2RX7
SCHEMBL6636983 0.91 CTRB1 (0.46) CTRB1ELANECTSKP2RX7
SCHEMBL6637590 0.90 CTRB1 (0.49) CTRB1ELANECYP17A1CTSKP2RX7
SCHEMBL6637788 0.87 CTRB1 (0.48) CTRB1ELANE
SCHEMBL6637260 0.86 CTRB1 (0.46) CTRB1ELANECYP17A1
SCHEMBL6639583 0.86 CTRB1 (0.49) CTRB1ELANECTSKP2RX7
SCHEMBL6637258 0.85 CTRB1 (0.51) CTRB1ELANECYP17A1CTSKP2RX7
SCHEMBL6638443 0.84 CTRB1 (0.47) CTRB1ELANECTSKP2RX7
SCHEMBL6636149 0.83 CTRB1 (0.53) CTRB1ELANECYP17A1P2RX7
SCHEMBL6635009 0.82 ELANE (0.49) CTRB1ELANEP2RX7

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