SCHEMBL9626044

SCHEMBL9626044

[O-][S+](CCCCCl)Cc1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
G6PD P11413 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
CCR3 P51677 1/20 0.30

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
SCHEMBL10333077 0.94 CALM1 (0.32) CALM1ALDH1A1ALOX15TDP1CES2
SCHEMBL9626222 0.90 TAAR1 (0.37) ALDH1A1HTT
SCHEMBL9625907 0.83 IDO1 (0.34) ALOX15
SCHEMBL6503361 0.81 CALM1 (0.41) CALM1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL9722607 0.80 CYP2A6 (0.40) TDP1
SCHEMBL9625760 0.80 CYP1A2 (0.41)
SCHEMBL9626169 0.80 TAAR1 (0.39) ALDH1A1
SCHEMBL5074193 0.79 MAOA (0.31) CALM1
SCHEMBL11223470 0.79 DNM1 (0.43) PKMHTTCES2CES1
SCHEMBL5074191 0.79 DNM1 (0.43) PKMHTTCES2CES1

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
EP-0326297-B1 THIOFORMAMIDE DERIVATIVES MAY & BAKER LIMITED (GB) 1992-03-18 EP disclosed
US-4959385-A MUSCLE RELAXANTS MAY & BAKER LIMITED (GB) 1990-09-25 US disclosed
EP-0326297-A1 Thioformamide derivatives MAY & BAKER LIMITED (GB) 1989-08-02 EP disclosed