SCHEMBL27845106

SCHEMBL27845106

NCS(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ PLA2G7 Q13093 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA13 Q8N1Q1 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ CA5B Q9Y2D0 1/20 0.43
▸ HTR6 P50406 3/20 0.41
▸ LOXL2 Q9Y4K0 3/20 0.41
▸ PSIP1 O75475 1/20 0.40
▸ TAAR1 Q96RJ0 3/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38

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
SCHEMBL18562275 0.78 HTR6 (0.42) CA12CA1CA2CA3CA4
SCHEMBL2440752 0.75 HTR6 (0.45) CA12CA1CA2CA3CA4
SCHEMBL3421644 0.75 HTR6 (0.45) CA12CA1CA2CA3CA4
SCHEMBL1856258 0.72 PSIP1 (0.61) CA12CA1CA2CA3CA4
SCHEMBL19174484 0.72 PSIP1 (0.42) CA12CA1CA2CA3CA4
SCHEMBL4618662 0.71 PSIP1 (0.59) CA12CA1CA2CA3CA4
SCHEMBL29207385 0.69 HTR6 (0.39) CA12CA1CA2CA3CA4
SCHEMBL6231539 0.69 CA1 (0.48) CA1CA2CA5ACA9HTR6
SCHEMBL20904616 0.67 PSIP1 (0.48) CA12CA1CA2CA3CA4
SCHEMBL372611 0.65 PSIP1 (0.41) HTR6PSIP1TAAR1SMN1; SMN2ALDH1A1

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
CN-101408728-B Resist composition, method of forming resist pattern, novel compound and method of producing the same TOKYO OHKA KOGYO CO LTD 2012-03-21 — — CN disclosed
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