SCHEMBL7961602

SCHEMBL7961602

CC(C)(C)c1cc(C=C(C#N)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 5/20 0.46
HSD17B10 Q99714 4/20 0.46
ALOX15 P16050 3/20 0.46
CYP3A4 P08684 3/20 0.46
TSHR P16473 3/20 0.46
BLM P54132 3/20 0.46
GAA P10253 2/20 0.46
RGS12 O14924 2/20 0.46
GMNN O75496 2/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
NFKB1 P19838 2/20 0.46
CYP2C19 P33261 2/20 0.46

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
SCHEMBL7961600 1.00 HPGD (0.46) HPGDKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7961597 1.00 HPGD (0.46) HPGDKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7952009 0.93 IGF1R (0.51) HPGDKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7952006 0.93 IGF1R (0.51) HPGDKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7952007 0.93 IGF1R (0.51) HPGDKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7964402 0.89 PKM (0.54) HPGDKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7964398 0.89 PKM (0.54) HPGDKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7964397 0.89 PKM (0.54) HPGDKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7962102 0.88 HPGD (0.49) HPGDKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7962106 0.88 HPGD (0.49) HPGDKMT2AMEN1SMN1; 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
US-6225346-B1 FOR THERAPY AND PROPHYLAXIS OF CELL PROLIFERATIVE DISORDERS OR CELL DIFFERENTIATION DISORDERS ASSOCIATED WITH PARTICULAR TYROSINE KINASES BY INHIBITING ONE OR MORE ABNORMAL TYROSINE KINASE ACTIVITIES SUGEN, INC. 2001-05-01 US disclosed