SCHEMBL7964786

SCHEMBL7964786

CC(C)(C)c1cc(/C=C(/C#N)S(=O)(=O)c2ccc(F)cc2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
ALDH1A1 P00352 7/20 0.56
KMT2A Q03164 6/20 0.56
HPGD P15428 4/20 0.56
KDM4E B2RXH2 4/20 0.56
MEN1 O00255 4/20 0.56
POLB P06746 2/20 0.56
GAA P10253 2/20 0.56
ALOX15 P16050 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HSD17B10 Q99714 2/20 0.56
ALPG P10696 1/20 0.56
ALOX12 P18054 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
EGFR P00533 3/20 0.47
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
PPME1 Q9Y570 3/20 0.43
ERBB2 P04626 1/20 0.41

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
SCHEMBL7964790 1.00 PKM (0.58) PKML3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL7964783 1.00 PKM (0.58) PKML3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL7964366 0.89 ALDH1A1 (0.54) PKML3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL7964362 0.89 ALDH1A1 (0.54) PKML3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL7964369 0.89 ALDH1A1 (0.54) PKML3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL3249809 0.88 PKM (0.57) PKML3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL3249803 0.88 PKM (0.57) PKML3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL7952227 0.88 ALDH1A1 (0.73) PKML3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL7952229 0.88 ALDH1A1 (0.73) PKML3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL3249807 0.88 PKM (0.57) PKML3MBTL1ALDH1A1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5891917-A MODULATING TYROSINE SIGNAL TRANSDUCTION TO PREVENT AND TREAT CELL PROLIFERATIVE DISORDERS OR CELL DIFFERENTIATION DISORDERS ASSOCIATED WITH PARTICULAR TYROSINE KINASES BY INHIBITING ONE OR MORE ABNORMAL TYROSINE KINASE ACTIVITIES SUGEN, INC. (US) 1999-04-06 US claimed
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
US-5935993-A TYROSINE KINASE INHIBITORS; TREATMENT OF CELL GROWTH, CELL DIFFERENTIATION DISORDERS SUGEN, INC. (US) 1999-08-10 US disclosed
US-5891917-A MODULATING TYROSINE SIGNAL TRANSDUCTION TO PREVENT AND TREAT CELL PROLIFERATIVE DISORDERS OR CELL DIFFERENTIATION DISORDERS ASSOCIATED WITH PARTICULAR TYROSINE KINASES BY INHIBITING ONE OR MORE ABNORMAL TYROSINE KINASE ACTIVITIES SUGEN, INC. (US) 1999-04-06 US disclosed