SCHEMBL7952230

SCHEMBL7952230

CC(C)(C)c1cc(C=C(C#N)S(=O)(=O)c2ccccc2)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.73
HPGD P15428 6/20 0.73
KMT2A Q03164 6/20 0.73
KDM4E B2RXH2 4/20 0.73
PKM P14618 4/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
MEN1 O00255 3/20 0.73
POLB P06746 3/20 0.73
L3MBTL1 Q9Y468 2/20 0.73
HSD17B10 Q99714 2/20 0.73
GAA P10253 1/20 0.73
ALPG P10696 1/20 0.73
ALOX15 P16050 1/20 0.73
ALOX12 P18054 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
EGFR P00533 1/20 0.49
MAPT P10636 3/20 0.46
NEK2 P51955 1/20 0.43
MAPK1 P28482 2/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL7952229 1.00 ALDH1A1 (0.73) ALDH1A1HPGDKMT2AKDM4EPKM
SCHEMBL7952227 1.00 ALDH1A1 (0.73) ALDH1A1HPGDKMT2AKDM4EPKM
SCHEMBL7964783 0.88 PKM (0.58) ALDH1A1HPGDKMT2AKDM4EPKM
SCHEMBL7964790 0.88 PKM (0.58) ALDH1A1HPGDKMT2AKDM4EPKM
SCHEMBL7964786 0.88 PKM (0.58) ALDH1A1HPGDKMT2AKDM4EPKM
SCHEMBL3240249 0.88 ALDH1A1 (0.61) ALDH1A1HPGDKMT2AKDM4EPKM
SCHEMBL3240240 0.88 ALDH1A1 (0.61) ALDH1A1HPGDKMT2AKDM4EPKM
SCHEMBL3240244 0.88 ALDH1A1 (0.61) ALDH1A1HPGDKMT2AKDM4EPKM
SCHEMBL7964366 0.86 ALDH1A1 (0.54) ALDH1A1HPGDKMT2AKDM4EPKM
SCHEMBL7964369 0.86 ALDH1A1 (0.54) ALDH1A1HPGDKMT2AKDM4EPKM

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