SCHEMBL7964398

SCHEMBL7964398

CC(C)(C)c1cc(/C=C(/C#N)S(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.54
ALDH1A1 P00352 5/20 0.54
HPGD P15428 5/20 0.54
KDM4E B2RXH2 4/20 0.54
KMT2A Q03164 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
POLB P06746 2/20 0.54
MEN1 O00255 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 1/20 0.54
ALPG P10696 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ERBB2 P04626 1/20 0.43
EGFR P00533 1/20 0.43
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 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
SCHEMBL7964402 1.00 PKM (0.54) PKMALDH1A1HPGDKDM4EKMT2A
SCHEMBL7964397 1.00 PKM (0.54) PKMALDH1A1HPGDKDM4EKMT2A
SCHEMBL7961602 0.89 HPGD (0.46) PKMALDH1A1HPGDKDM4EKMT2A
SCHEMBL7961597 0.89 HPGD (0.46) PKMALDH1A1HPGDKDM4EKMT2A
SCHEMBL7961600 0.89 HPGD (0.46) PKMALDH1A1HPGDKDM4EKMT2A
SCHEMBL7964362 0.88 ALDH1A1 (0.54) PKMALDH1A1HPGDKDM4EKMT2A
SCHEMBL7964366 0.88 ALDH1A1 (0.54) PKMALDH1A1HPGDKDM4EKMT2A
SCHEMBL7964369 0.88 ALDH1A1 (0.54) PKMALDH1A1HPGDKDM4EKMT2A
SCHEMBL7965455 0.88 KDM4E (0.70) PKMALDH1A1HPGDKDM4EKMT2A
SCHEMBL7965453 0.88 KDM4E (0.70) PKMALDH1A1HPGDKDM4EKMT2A

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