SCHEMBL9809121

SCHEMBL9809121

CCn1c(C)c(SS)c(=O)n1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
HSD11B1 P28845 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 2/20 0.40
BCHE P06276 1/20 0.40
PTGS2 P35354 1/20 0.40
LMNA P02545 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ABCB1 P08183 6/20 0.38
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.38
THRB P10828 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.37
PTGS1 P23219 1/20 0.36

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
SCHEMBL9809118 0.88 POLB (0.42) POLBHSD11B1ALDH1A1ALOX15BCHE
SCHEMBL9809067 0.81 CYP19A1 (0.42) POLBHSD11B1ALDH1A1ALOX15BCHE
SCHEMBL9809069 0.80 ALOX15 (0.58) POLBALDH1A1ALOX15BCHEPTGS2
SCHEMBL9809074 0.78 KMT2A (0.47) ALDH1A1LMNAMEN1KMT2ANPSR1
SCHEMBL6260403 0.76 BCHE (0.63) POLBHSD11B1ALDH1A1ALOX15BCHE
SCHEMBL15550275 0.74 ABCB1 (0.52) ALDH1A1ALOX15ABCB1TSHR
SCHEMBL15537298 0.74 ALDH1A1 (0.69) POLBHSD11B1ALDH1A1ALOX15BCHE
SCHEMBL9809094 0.73 FPR2 (0.45) POLBALDH1A1ALOX15BCHEPTGS2
SCHEMBL23403514 0.71 ALDH1A1 (0.44) ALDH1A1LMNAMEN1KMT2AABCB1
SCHEMBL9809114 0.71 CYP19A1 (0.43) POLBALDH1A1ALOX15BCHEPTGS2

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-5063245-A Hormone inhibitors NOVA PHARMACEUTICAL CORPORATION (US) 1991-11-05 US disclosed