SCHEMBL9809075

SCHEMBL9809075

Cc1c(SSc2c(C)n(C)n(-c3ccc(I)cc3)c2=O)c(=O)n(-c2ccc(I)cc2)n1C

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.47
FPR2 P25090 1/20 0.45
ALOX15 P16050 2/20 0.42
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
TSHR P16473 3/20 0.41
CYP1A2 P05177 2/20 0.41
THRB P10828 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 3/20 0.38
CYP2D6 P10635 1/20 0.38
POLB P06746 1/20 0.37
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL9809079 0.87 BCHE (0.45) BCHEFPR2ALOX15PTGS2ALDH1A1
SCHEMBL9809107 0.83 CYP19A1 (0.43) BCHEFPR2ALOX15PTGS2ALDH1A1
SCHEMBL9809069 0.70 ALOX15 (0.58) BCHEALOX15PTGS2ALDH1A1LMNA
SCHEMBL9809125 0.70 CYP19A1 (0.44) BCHEFPR2ALOX15PTGS2ALDH1A1
Iodoantipyrine SCHEMBL1148899 0.67 ALOX15 (0.64) BCHEALOX15PTGS2ALDH1A1LMNA
SCHEMBL11049152 0.67 NAPRT (0.68) BCHEFPR2ALOX15PTGS2ALDH1A1
SCHEMBL9809082 0.67 ALOX15 (0.54) BCHEALOX15PTGS2ALDH1A1LMNA
SCHEMBL9809077 0.67 ALOX15 (0.54) BCHEALOX15PTGS2ALDH1A1LMNA
SCHEMBL3882745 0.67 CYP19A1 (0.56) BCHEALOX15PTGS2ALDH1A1LMNA
SCHEMBL9809087 0.67 ALOX15 (0.58) BCHEALOX15PTGS2ALDH1A1LMNA

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