SCHEMBL9825922

SCHEMBL9825922

COc1ccccc2cc3cscc3c1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
NQO1 P15559 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
HTR7 P34969 3/20 0.38
HTR1A P08908 2/20 0.38
PDGFRB P09619 2/20 0.36
PDGFRA P16234 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.35
WHR1 P49842 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
SCHEMBL9825004 0.77 HDAC4 (0.36) MAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL9825283 0.70 ALOX5 (0.40) MAPTCA12CA1CA2CA4
SCHEMBL30865706 0.69 HTR1A (0.58) MAPTCA12CA1CA2CA4
SCHEMBL9825010 0.67 CYP2A6 (0.41) MAPTSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL28966740 0.67 MEN1 (0.43) MAPTNQO1CA12CA1CA2
SCHEMBL26259629 0.66 MAPT (0.52) MAPTNQO1CA12CA1CA2
SCHEMBL11267308 0.66 ALDH1A1 (0.39) MAPTNQO1SMN1; SMN2LMNAHPGD
SCHEMBL355567 0.65 CA1 (0.57) MAPTCA12CA1CA2CA4
SCHEMBL29217584 0.65 FABP4 (0.53) MAPTCA12CA1CA2CA4
SCHEMBL9876284 0.65 ADORA1 (0.42) SMN1; SMN2HPGDPDGFRBPDGFRAKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed
EP-0187015-B1 SQUARILIUM COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME MITSUBISHI KASEI CORPORATION (JP) 1991-05-29 EP disclosed
EP-0187015-A2 Squarilium compound and liquid crystal composition containing the same MITSUBISHI KASEI CORPORATION (JP) 1986-07-09 EP disclosed