SCHEMBL21797162

SCHEMBL21797162

O=S(=O)(O)SCCc1nc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
CHRM1 P11229 1/20 0.56
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
PDE10A Q9Y233 1/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
BCHE P06276 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL21797171 0.92 POLB (0.62) POLBCHRM1KDM4ENPC1RAB9A
SCHEMBL21797194 0.90 POLB (0.65) POLBCHRM1KDM4ENPC1RAB9A
SCHEMBL21797163 0.89 POLB (0.63) POLBCHRM1KDM4ENPC1RAB9A
SCHEMBL21797192 0.89 POLB (0.63) POLBCHRM1KDM4ENPC1RAB9A
SCHEMBL21797172 0.85 SMN1; SMN2 (0.56) POLBCHRM1NPC1RAB9ALMNA
SCHEMBL5082298 0.81 POLB (0.64) POLBCHRM1KDM4ENPC1RAB9A
SCHEMBL5069923 0.81 L3MBTL1 (0.59) POLBCHRM1KDM4ENPC1RAB9A
SCHEMBL10768086 0.81 POLB (0.55) POLBCHRM1KDM4ENPC1RAB9A
SCHEMBL3069740 0.79 POLB (0.70) POLBCHRM1NPC1RAB9APDE10A
SCHEMBL3084593 0.79 POLB (0.70) POLBCHRM1NPC1RAB9APDE10A

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