SCHEMBL11814812

SCHEMBL11814812

NC(=O)c1cc(C(F)(F)F)ccc1SCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.51
▸ CA4 P22748 2/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA3 P07451 1/20 0.51
▸ CA6 P23280 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CA13 Q8N1Q1 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ CA5B Q9Y2D0 1/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL10746094 0.89 FKBP1A (0.53) CA2CA4KMT2AMEN1ALDH1A1
Ammonia Solution, Strong SCHEMBL11820558 0.88 FKBP1A (0.52) CA2CA4KMT2AMEN1ALDH1A1
SCHEMBL11819040 0.88 FKBP1A (0.52) CA2CA4KMT2AMEN1ALDH1A1
SCHEMBL11825095 0.88 FKBP1A (0.52) CA2CA4KMT2AMEN1ALDH1A1
SCHEMBL11821280 0.88 FKBP1A (0.52) CA2CA4KMT2AMEN1ALDH1A1
SCHEMBL11820125 0.88 FKBP1A (0.52) CA2CA4KMT2AMEN1ALDH1A1
SCHEMBL11821844 0.88 FKBP1A (0.52) CA2CA4KMT2AMEN1ALDH1A1
SCHEMBL11821838 0.86 CA2 (0.44) CA2CA4CA12CA1CA3
Potassium Ion SCHEMBL11819033 0.85 CA2 (0.43) CA2CA4CA12CA1CA3
SCHEMBL11820118 0.85 CA2 (0.43) CA2CA4CA12CA1CA3

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-3954994-A Intermediates for preparing hipolipemic agents and method of lowering the blood lipid level in mammals with said agents PFIZER INC. (US) 1976-05-04 — — US disclosed
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