SCHEMBL11297227

SCHEMBL11297227

Nc1ccccc1SCc1c(C(=O)O)ccc(C(=O)O)c1CSc1ccccc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.55
▸ CYP1A2 P05177 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.44
▸ PTPRG P23470 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ PRNP P04156 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ RET P07949 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ BCL2A1 Q16548 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ IDO1 P14902 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
SCHEMBL1812157 0.83 MCL1 (0.49) POLBCYP1A2HSD17B10MEN1KMT2A
SCHEMBL11301369 0.81 MCL1 (0.43) POLBCYP1A2HSD17B10MEN1KMT2A
SCHEMBL11368067 0.76 POLB (0.39) POLBCYP1A2HSD17B10MEN1KMT2A
SCHEMBL11301366 0.75 POLB (0.41) POLBCYP1A2HSD17B10MEN1KMT2A
SCHEMBL11298505 0.73 HSD17B10 (0.42) POLBCYP1A2HSD17B10MEN1KMT2A
SCHEMBL2032649 0.73 KDM4E (0.71) POLBCYP1A2HSD17B10MEN1KMT2A
SCHEMBL7402835 0.72 CYP1A2 (0.63) POLBCYP1A2HSD17B10MEN1KMT2A
SCHEMBL11482869 0.72 POLB (0.59) POLBCYP1A2HSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL2909102 0.71 KDM4E (0.69) POLBCYP1A2HSD17B10MEN1KMT2A
SCHEMBL3896275 0.71 POLB (1.00) POLBCYP1A2HSD17B10MEN1KMT2A

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-4342859-A Bis(aminophenylthioalkyl)terephthalate and hardener for polyurethane elastomer thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1982-08-03 — — US disclosed
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