SCHEMBL11817565

SCHEMBL11817565

CCOc1ccc2c(c1)Sc1cccc(C(=O)O)c1N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ MAPT P10636 5/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ NOTUM Q6P988 1/20 0.44
▸ SMN1; SMN2 Q16637 7/20 0.42
▸ LMNA P02545 5/20 0.42
▸ GAA P10253 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ NOX1 Q9Y5S8 2/20 0.42
▸ SNCA P37840 2/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40

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
SCHEMBL11811978 0.86 NOX1 (0.58) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL29242167 0.77 SNCA (0.65) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL11817545 0.77 SNCA (0.45) MEN1KMT2AMAPTGAANOX1
SCHEMBL293434 0.76 ALOX5 (0.54) MEN1KMT2AMAPTNPC1RAB9A
Benzene SCHEMBL28125613 0.76 ALOX5 (0.54) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL11823962 0.75 NOX1 (0.49) MEN1KMT2AMAPTNOTUMLMNA
SCHEMBL11822439 0.73 SNCA (0.61) MAPTSMN1; SMN2LMNAGAAMAPK1
SCHEMBL11812879 0.72 NOX1 (0.41) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL11442019 0.71 SMN1; SMN2 (0.41) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL11818936 0.70 ALDH1A1 (0.49) MEN1KMT2AMAPTNOTUMLMNA

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-3962438-A Anti-arthritic 1H-pyrimido-(5,4,3-kl)phenothiazine-1,3(2H)-diones and 1-thiones SMITHKLINE CORPORATION (US) 1976-06-08 — — US disclosed
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