SCHEMBL8436458

SCHEMBL8436458

Cc1c(OCC(F)(F)F)ccnc1-n1c([S+](C)[O-])nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ TSHR P16473 3/20 0.41
▸ WDR5 P61964 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ENGASE Q8NFI3 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SARM1 Q6SZW1 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ DDAH1 O94760 1/20 0.41
▸ ATP1A1 P05023 1/20 0.41
▸ ATP1B1 P05026 1/20 0.41
▸ GLA P06280 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
SCHEMBL8860695 0.86 MAPT (0.36) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL8670315 0.84 MAPT (0.33) MAPTNPC1RAB9AKMT2ALMNA
SCHEMBL8668979 0.84 MEN1 (0.36) MAPTNPC1RAB9ATSHRKMT2A
SCHEMBL8438828 0.83 KMT2A (0.41) MAPTNPC1RAB9ACYP2C9TSHR
SCHEMBL8672636 0.80 SMN1; SMN2 (0.37) MAPTNPC1RAB9ACYP2C9TSHR
SCHEMBL8860680 0.78 KDM4E (0.31) MAPTKDM4E
SCHEMBL8672844 0.78 MAPT (0.30) MAPT
SCHEMBL8442772 0.78 HTR1D (0.41) TSHRKMT2ALMNAKDM4EGAA
SCHEMBL1559770 0.77 MAPT (0.50) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL1559910 0.77 MAPT (0.50) MAPTNPC1RAB9ACYP1A2CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5948789-A ASYMMETRIC OXIDATION OF A PRO-CHIRAL SULPHIDE TO THE SINGLE ENANTIOMERS OR AN ENANTIOMERICALLY ENRICHED FORM OF THE CORRESPONDING SULPHOXIDE. OPTICALLY PURE SUBSTITUTED 2-(2-PYRIDINYLMETHYL-SULPHINYL)-1H-BENZIMIDAZOLES. ASTRA AKTIEBOLAG (SE) 1999-09-07 — — US disclosed
US-5929244-A TREATING AN ENANTIOMERICALLY ENRICHED PREPARATION OF THE COMPOUND IN FAVOUR OF ITS (+) OR (-)-ENANTIOMER AT ROOM TEMPERATURE OR BELOW WITH A SOLVENT SELECTED FROM KETONES, ESTERS, ALCOHOL, NITRILES, HYROCARBONS, ETHERS, AMIDES ASTRA AKTIEBOLAG (SE) 1999-07-27 — — US disclosed
US-5731002-A ANTISECRETORY ASTRA AKTIEBOLAG (SE) 1998-03-24 — — US disclosed
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