SCHEMBL13680499

SCHEMBL13680499

COC(=O)c1ccc(-c2cccc(C)c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
DYRK1A Q13627 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
WNT3A P56704 1/20 0.45
EGLN1 Q9GZT9 1/20 0.44
CDK8 P49336 1/20 0.44
KMO O15229 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
SLC2A1 P11166 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL23380565 0.84 MAPT (0.51) MAPK1CYP4F2CYP4A11DYRK1ACDK8
SCHEMBL13680500 0.83 KMO (0.57) CYP4F2CYP4A11MEN1ALDH1A1LMNA
SCHEMBL11041168 0.83 MAPK1 (0.59) MAPK1DYRK1AMEN1KMT2AKDM4E
SCHEMBL24061023 0.82 PIP5K1C (0.53) MEN1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL23201168 0.82 ALDH1A1 (0.51) HSD17B10ALDH1A1KMT2ASMN1; SMN2WNT3A
SCHEMBL22070487 0.82 CYP4F2 (0.66) CYP4F2CYP4A11HSD17B10ALDH1A1KMT2A
SCHEMBL14875853 0.82 RXRA (0.50) MAPK1CYP4F2CYP4A11DYRK1ACDK8
SCHEMBL21044529 0.80 SMN1; SMN2 (0.49) HSD17B10MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13680554 0.78 GRM5 (0.53) MAPK1DYRK1AMEN1KMT2AKDM4E
SCHEMBL11049832 0.78 NOTUM (0.59) MAPK1DYRK1AKMOKDM4E

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed