SCHEMBL9702885

SCHEMBL9702885

CCCCCCCc1nnc(-c2ccc(CCc3ccc(CCCCC)cc3)cc2)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
RAB9A P51151 2/20 0.66
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 3/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD11B1 P28845 1/20 0.47
TSHR P16473 1/20 0.46
AKT1 P31749 1/20 0.46
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46

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
SCHEMBL15164266 0.98 KDM4E (0.68) KDM4ERAB9AALDH1A1HSD17B10MEN1
SCHEMBL9702884 0.98 KDM4E (0.68) KDM4ERAB9AALDH1A1HSD17B10MEN1
SCHEMBL9704102 0.95 RAB9A (0.60) KDM4ERAB9AALDH1A1HSD17B10MEN1
SCHEMBL9704028 0.94 RAB9A (0.58) KDM4ERAB9AALDH1A1HSD17B10MEN1
SCHEMBL9704088 0.94 RAB9A (0.61) KDM4ERAB9AALDH1A1HSD17B10MEN1
SCHEMBL9702773 0.94 RAB9A (0.66) KDM4ERAB9AALDH1A1HSD17B10MEN1
SCHEMBL10058957 0.94 RAB9A (0.59) KDM4ERAB9AALDH1A1HSD17B10MEN1
SCHEMBL10058950 0.94 RAB9A (0.59) KDM4ERAB9AALDH1A1HSD17B10MEN1
SCHEMBL10058952 0.94 RAB9A (0.59) KDM4ERAB9AALDH1A1HSD17B10MEN1
SCHEMBL10058949 0.94 RAB9A (0.59) KDM4ERAB9AALDH1A1HSD17B10MEN1

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-5143642-A Thiadiazoles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-01 US disclosed