SCHEMBL7909287

SCHEMBL7909287

O=S(=O)(O)c1ccc2c(c1)CCC2.[NaH]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.63
CA2 P00918 5/20 0.63
CA12 O43570 4/20 0.63
CA7 P43166 3/20 0.63
CA14 Q9ULX7 3/20 0.63
NPC1 O15118 1/20 0.49
MITF O75030 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 3/20 0.46
CA9 Q16790 1/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
PTPN7 P35236 1/20 0.45
DPP4 P27487 1/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL2634017 0.98 CA1 (0.66) CA1CA2CA12CA7CA14
SCHEMBL6945238 0.96 CA1 (0.58) CA1CA2CA12CA7CA14
Hydrochloric Acid SCHEMBL4235994 0.96 CA1 (0.63) CA1CA2CA12CA7CA14
SCHEMBL7427733 0.94 CA1 (0.60) CA1CA2CA12CA7CA14
Hydrochloric Acid SCHEMBL11153185 0.92 CA1 (0.58) CA1CA2CA12CA7CA14
Trifluoroacetic Acid SCHEMBL8125900 0.81 KDM4E (0.51) CA1CA2CA12CA7CA14
SCHEMBL9646446 0.78 CA12 (0.61) CA1CA2CA12CA7CA14
SCHEMBL7909284 0.78 CA12 (0.66) CA1CA2CA12CA7CA14
SCHEMBL1546679 0.78 CA12 (0.66) CA1CA2CA12CA7CA14
SCHEMBL9786185 0.78 KMT2A (0.56) CA1CA2CA12CA7CA14

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-6217855-B1 ELASTICITY KAO CORPORATION (JP) 2001-04-17 US disclosed