SCHEMBL7963939

SCHEMBL7963939

CC(C)(C)c1cc(C=C(C#N)S(=O)(=O)c2ccccn2)cc(Br)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.53
CISD1 Q9NZ45 1/20 0.53
KMT2A Q03164 7/20 0.53
PKM P14618 5/20 0.53
MAPK1 P28482 2/20 0.53
POLB P06746 2/20 0.53
LMNA P02545 4/20 0.49
EGFR P00533 2/20 0.45
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HSD17B10 Q99714 4/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 3/20 0.41
BLM P54132 3/20 0.41
HPGD P15428 3/20 0.41
ALOX15 P16050 3/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 2/20 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
SCHEMBL7963934 1.00 IGF1R (0.53) IGF1RCISD1KMT2APKMMAPK1
SCHEMBL7963935 1.00 IGF1R (0.53) IGF1RCISD1KMT2APKMMAPK1
SCHEMBL4074794 0.93 KMT2A (0.57) IGF1RCISD1KMT2APKMMAPK1
SCHEMBL4074791 0.93 KMT2A (0.57) IGF1RCISD1KMT2APKMMAPK1
SCHEMBL4074796 0.93 KMT2A (0.57) IGF1RCISD1KMT2APKMMAPK1
SCHEMBL7962831 0.84 KMT2A (0.61) IGF1RKMT2APKMMAPK1POLB
SCHEMBL7962829 0.84 KMT2A (0.61) IGF1RKMT2APKMMAPK1POLB
SCHEMBL7962827 0.84 KMT2A (0.61) IGF1RKMT2APKMMAPK1POLB
SCHEMBL5363714 0.80 PKM (0.60) KMT2APKMMAPK1POLBLMNA
SCHEMBL5363715 0.80 PKM (0.60) KMT2APKMMAPK1POLBLMNA

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 3 patents. 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
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