SCHEMBL6637101

SCHEMBL6637101

Cc1c(NC(=O)CCC2CCCCC2)ccc2nc(NC(C)(C)C(=O)N(C)CCc3ccccn3)oc(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.39
ELANE P08246 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MMP2 P08253 1/20 0.35
BMP1 P13497 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
SCHEMBL6640799 0.89 CTRB1 (0.46) CTRB1MEN1KMT2AHPGDPOLB
SCHEMBL6639078 0.88 CTRB1 (0.45) CTRB1MEN1KMT2APOLBALDH1A1
SCHEMBL6639083 0.87 CTRB1 (0.44) CTRB1MEN1KMT2AHPGDPOLB
SCHEMBL6637692 0.87 CTRB1 (0.46) CTRB1MEN1KMT2APOLBALDH1A1
SCHEMBL6641834 0.87 CTRB1 (0.45) CTRB1MEN1KMT2APOLBALDH1A1
Hydrochloric Acid SCHEMBL6640404 0.86 CTRB1 (0.43) CTRB1MEN1KMT2AHPGDPOLB
SCHEMBL6640791 0.86 CTRB1 (0.46) CTRB1MEN1KMT2APOLBALDH1A1
SCHEMBL6636476 0.86 CTRB1 (0.45) CTRB1MEN1KMT2APOLBALDH1A1
SCHEMBL6638837 0.84 CTRB1 (0.47) CTRB1MEN1KMT2APOLBALDH1A1
SCHEMBL6636636 0.84 CTRB1 (0.46) CTRB1MEN1KMT2APOLBALDH1A1

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