SCHEMBL11287362

SCHEMBL11287362

O=[N+]([O-])c1ccc2c(c1-c1ccccc1)C(=S)OC2=S

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ S100A4 P26447 2/20 0.37
▸ PTPRC P08575 1/20 0.37
▸ MYC P01106 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ MAOA P21397 1/20 0.35
▸ FBP1 P09467 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11287364 0.90 ALDH1A1 (0.44) ALDH1A1TDP1CRHBPCRHR2MAPT
SCHEMBL9453357 0.74 SMN1; SMN2 (0.51) ALDH1A1TDP1CRHBPCRHR2MAPT
SCHEMBL11063998 0.73 PTGS2 (0.43) ALDH1A1TDP1CRHBPCRHR2MAPT
SCHEMBL11598974 0.72 ALDH1A1 (0.51) ALDH1A1TDP1CRHBPCRHR2MAPT
SCHEMBL28221727 0.70 TDP1 (0.63) ALDH1A1TDP1CRHBPCRHR2MAPT
SCHEMBL10949109 0.70 TDP1 (0.48) ALDH1A1TDP1CRHBPCRHR2MAPT
SCHEMBL28099167 0.69 ALDH1A1 (0.56) ALDH1A1TDP1CRHBPCRHR2MAPT
SCHEMBL29575337 0.68 TDP1 (0.71) ALDH1A1TDP1CRHBPCRHR2MAPT
SCHEMBL9444834 0.68 TDP1 (0.71) ALDH1A1TDP1CRHBPCRHR2MAPT
SCHEMBL8085585 0.68 MAPT (0.56) ALDH1A1TDP1MAPTPOLBAPEX1

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-4363917-A SENSITIZERS FOR PHOTOCROSSLINKABLE POLYMERS; PHOTOPOLYMERIZATION INITIATORS CIBA-GEIGY CORPORATION (US) 1982-12-14 — — US disclosed
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