SCHEMBL15080588

SCHEMBL15080588

COc1nc(C)cc(N2CCCCC2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
HTT P42858 2/20 0.53
RECQL P46063 1/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.51
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 3/20 0.49
TSHR P16473 3/20 0.49
HPGD P15428 2/20 0.49
USP2 O75604 2/20 0.49
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPK1 P28482 1/20 0.49
HRH4 Q9H3N8 1/20 0.48

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
SCHEMBL20443706 0.95 CRHBP (0.53) SMN1; SMN2CRHBPCRHR2KMT2AMEN1
SCHEMBL22873669 0.85 HRH4 (0.66) KMT2AKDM4EALDH1A1HSD17B10TSHR
SCHEMBL20443845 0.83 KMT2A (0.64) SMN1; SMN2CRHBPCRHR2KMT2AMEN1
SCHEMBL14528408 0.83 MEN1 (0.53) SMN1; SMN2CRHBPCRHR2KMT2AMEN1
SCHEMBL21796733 0.81 MEN1 (0.51) SMN1; SMN2CRHBPCRHR2KMT2AMEN1
SCHEMBL30067691 0.81 HRH4 (0.53) SMN1; SMN2CRHBPCRHR2KMT2AMEN1
SCHEMBL22873735 0.81 HRH4 (0.43) SMN1; SMN2CRHBPCRHR2KMT2AMEN1
SCHEMBL12409890 0.80 SMN1; SMN2 (0.53) SMN1; SMN2CRHBPCRHR2KMT2AMEN1
SCHEMBL12570455 0.79 KMT2A (0.49) SMN1; SMN2CRHBPCRHR2KMT2AMEN1
SCHEMBL5803078 0.79 CRHBP (0.64) SMN1; SMN2CRHBPCRHR2KMT2AMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476225-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-07-02 US disclosed