SCHEMBL8666063

SCHEMBL8666063

O=c1cc(N2CCCC2)cc[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.53
IP6K1 Q92551 3/20 0.49
IP6K3 Q96PC2 1/20 0.49
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
ALOX15 P16050 2/20 0.49
HRH3 Q9Y5N1 2/20 0.48
MAPK1 P28482 2/20 0.43
NOTUM Q6P988 1/20 0.42
AR P10275 1/20 0.42
ERCC1 P07992 1/20 0.41
DNASE1 P24855 1/20 0.41
FEN1 P39748 1/20 0.41
ERCC4 Q92889 1/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL23759875 0.85 ADRB1 (0.51) ALDH1A1HTTCYP1A2CYP2C19
SCHEMBL169959 0.85 MAPK1 (0.47) HSD17B10IP6K1IP6K3ALDH1A1MEN1
SCHEMBL22150604 0.83 PIK3CA (0.49) ALDH1A1MEN1KMT2AMAPTHRH3
SCHEMBL18436001 0.83 ADRA2C (0.47) HSD17B10ALDH1A1MEN1KMT2AMAPT
SCHEMBL19264139 0.82 HRH3 (0.53) HSD17B10IP6K1IP6K3HRH3MAPK1
SCHEMBL19012650 0.79 HRH3 (0.43) HSD17B10IP6K1IP6K3ALDH1A1MEN1
SCHEMBL21336580 0.79 HRH3 (0.64) ALDH1A1MAPTHRH3MAPK1KDM4E
SCHEMBL22796057 0.79 JAK3 (0.47) HSD17B10ALDH1A1MEN1KMT2AMAPT
SCHEMBL784768 0.77 HRH3 (0.49) HRH3MAPK1
SCHEMBL1039248 0.76 IP6K1 (0.58) IP6K1ALDH1A1MAPTHRH3NOTUM

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-5847218-A Sulfonium salts and chemically amplified positive resist compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-12-08 US disclosed