SCHEMBL9400441

SCHEMBL9400441

Oc1ccc(SCc2ccccc2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.48
▸ IDO1 P14902 3/20 0.48
▸ DAO P14920 3/20 0.46
▸ PTPRC P08575 1/20 0.42
▸ CA2 P00918 2/20 0.41
▸ CA4 P22748 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ EP300 Q09472 1/20 0.39
▸ KAT2B Q92831 1/20 0.39
▸ KAT8 Q9H7Z6 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL15537304 0.78 POLB (0.48) POLBIDO1PTPRCCA2CA4
SCHEMBL1057913 0.77 IDO1 (0.52) IDO1HDAC3EP300KAT2BKAT8
SCHEMBL77392 0.76 POLB (0.61) POLBIDO1DAOPTPRCCA2
SCHEMBL9006468 0.74 ALOX5 (0.50) POLBIDO1DAOPTPRCCA2
SCHEMBL11594393 0.73 IDO1 (0.65) IDO1HSD17B10TDP1HDAC3EP300
SCHEMBL11261233 0.73 IDO1 (0.65) IDO1HSD17B10TDP1HDAC3EP300
SCHEMBL6057233 0.73 POLB (0.57) POLBALDH1A1HSD17B10HTTTDP1
SCHEMBL11304190 0.73 IDO1 (0.46) IDO1KMT2AL3MBTL1HDAC3EP300
SCHEMBL22647143 0.72 POLB (0.50) POLBDAOPTPRCALDH1A1HSD17B10
SCHEMBL8781008 0.71 POLB (0.55) POLBIDO1DAOPTPRCCA2

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-5372917-A Excellent color forming property, storage stability and recorded image preservability; pyrazolone derivatives KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1994-12-13 — — US disclosed
Send feedback