SCHEMBL21797172

SCHEMBL21797172

O=S(=O)(O)SCc1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.56
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HTT P42858 3/20 0.52
POLB P06746 2/20 0.51
DDAH1 O94760 1/20 0.51
LMNA P02545 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
CHRM1 P11229 1/20 0.51
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL21797162 0.85 POLB (0.57) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9
SCHEMBL5069923 0.83 L3MBTL1 (0.59) SMN1; SMN2NPC1RAB9AL3MBTL1KMT2A
SCHEMBL21797171 0.82 POLB (0.62) NPC1RAB9ACYP1A2CYP2C9KMT2A
SCHEMBL21797194 0.81 POLB (0.65) NPC1RAB9ACYP1A2CYP2C9KMT2A
SCHEMBL21797192 0.80 POLB (0.63) NPC1RAB9AKMT2AHTTPOLB
SCHEMBL21797163 0.80 POLB (0.63) NPC1RAB9AKMT2AHTTPOLB
SCHEMBL10770893 0.79 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL3065316 0.78 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL3079520 0.78 SMN1; SMN2 (0.83) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL5082298 0.78 POLB (0.64) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626773-B1 RUBBER COMPOSITION FOR TIRE, AND TIRE BRIDGESTONE CORP (JP) 2021-12-08 EP disclosed
US-20200283613-A1 RUBBER COMPOSITION FOR TIRES AND TIRE BRIDGESTONE CORPORATION (JP) 2020-09-10 US disclosed
EP-3626773-A1 RUBBER COMPOSITION FOR TIRE, AND TIRE Bridgestone Corporation (JP) 2020-03-25 EP disclosed
US-20200079933-A1 RUBBER COMPOSITION FOR TIRE, AND TIRE BRIDGESTONE CORPORATION (JP) 2020-03-12 US disclosed
CN-110662799-A Rubber composition for tire and tire 株式会社普利司通 2020-01-07 CN disclosed