SCHEMBL11287364

SCHEMBL11287364

O=C1OC(=S)c2ccc([N+](=O)[O-])c(-c3ccccc3)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MAPT P10636 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ S100A4 P26447 2/20 0.40
▸ PTPRC P08575 1/20 0.40
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ MYC P01106 1/20 0.35
▸ NPC1 O15118 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
SCHEMBL11287362 0.90 ALDH1A1 (0.45) ALDH1A1TDP1MAPTPOLBAPEX1
SCHEMBL11064000 0.73 ALDH1A1 (0.44) ALDH1A1TDP1MAPTPOLBS100A4
SCHEMBL9453357 0.73 SMN1; SMN2 (0.51) ALDH1A1TDP1MAPTPOLBAPEX1
SCHEMBL8653951 0.71 S100A4 (0.52) ALDH1A1TDP1MAPTPOLBAPEX1
SCHEMBL11598974 0.71 ALDH1A1 (0.51) ALDH1A1TDP1MAPTPOLBCRHBP
SCHEMBL8085585 0.70 MAPT (0.56) ALDH1A1TDP1MAPTPOLBAPEX1
SCHEMBL28221727 0.69 TDP1 (0.63) ALDH1A1TDP1MAPTS100A4PTPRC
SCHEMBL10949109 0.69 TDP1 (0.48) ALDH1A1TDP1MAPTPOLBAPEX1
SCHEMBL9397168 0.68 ALDH1A1 (0.47) ALDH1A1TDP1MAPTPOLBAPEX1
SCHEMBL28099167 0.68 ALDH1A1 (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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