SCHEMBL8628798

SCHEMBL8628798

CN(C)c1ccc(S(OS(=O)(=O)c2ccc(F)cc2)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.44
FFAR1 O14842 1/20 0.42
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 3/20 0.42
ALOX15 P16050 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 5/20 0.39
CA9 Q16790 3/20 0.39
MEN1 O00255 3/20 0.39
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
CA1 P00915 1/20 0.38
CA4 P22748 1/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL6140065 0.85 ALDH1A1 (0.53) ALDH1A1HSD17B10ALOX15KDM4EHPGD
SCHEMBL8629128 0.82 ALDH1A1 (0.41) ALDH1A1HSD17B10ALOX15KDM4EHPGD
SCHEMBL503950 0.81 ACHE (0.50) ALDH1A1TP53KMT2ACA9MEN1
SCHEMBL2964009 0.81 ACHE (0.50) ALDH1A1TP53KMT2ACA9MEN1
SCHEMBL6140890 0.81 CA2 (0.43) ALDH1A1HSD17B10ALOX15KDM4EHPGD
SCHEMBL6140387 0.81 ALDH1A1 (0.43) ALDH1A1HSD17B10ALOX15KDM4EHPGD
SCHEMBL2955282 0.79 KMT2A (0.49) FFAR1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL2960247 0.78 PKM (0.50) ALDH1A1LMNACA2CA1TDP1
SCHEMBL3137415 0.75 KMT2A (0.46) LMNAKMT2ACA9MEN1CA12
SCHEMBL1002297 0.75 KMT2A (0.46) LMNAKMT2ACA9MEN1CA12

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-5705702-A REACTING AN ARYL GRIGNARD REAGENT WITH THIONYL CHLORIDE, THEN WITH TRIORGANOSILYL SULFONATE OR TRIORGANOSILYLHALIDE SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-01-06 US disclosed