SCHEMBL7954239

SCHEMBL7954239

CCOc1cc(/C=C(/C#N)S(=O)(=O)c2ccccc2)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.68
MEN1 O00255 9/20 0.68
KMT2A Q03164 9/20 0.68
KDM4E B2RXH2 6/20 0.68
HPGD P15428 4/20 0.68
PKM P14618 3/20 0.68
GAA P10253 2/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
POLB P06746 2/20 0.68
ALPG P10696 1/20 0.68
ALOX15 P16050 1/20 0.68
ALOX12 P18054 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
HSD17B10 Q99714 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
MAPT P10636 3/20 0.55
MAPK1 P28482 1/20 0.55
KLK7 P49862 1/20 0.50
ST14 Q9Y5Y6 1/20 0.50
CYP1A2 P05177 1/20 0.49

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
SCHEMBL7954244 1.00 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL7954237 1.00 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL7961117 0.89 PKM (0.55) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL7961114 0.89 PKM (0.55) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL7961119 0.89 PKM (0.55) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL7963140 0.86 MEN1 (0.50) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL7963137 0.86 MEN1 (0.50) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL7963144 0.86 MEN1 (0.50) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL7964960 0.86 MEN1 (0.50) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL7964954 0.86 MEN1 (0.50) ALDH1A1MEN1KMT2AKDM4EHPGD

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 5 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
WO-1996040629-A1 TYRPHOSTIN-LIKE COMPOUNDS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS OR CELL DIFFERENTIATION DISORDERS SUGEN, INC. (US) 1996-12-19 WO 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