SCHEMBL7960804

SCHEMBL7960804

Cc1cc(C=C(C#N)S(=O)(=O)CC#N)cc(C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.45
ERBB2 P04626 1/20 0.45
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2B6 P20813 1/20 0.39
PTGS1 P23219 7/20 0.36
PTGS2 P35354 7/20 0.36
ALOX5 P09917 6/20 0.36
TTR P02766 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
ALPG P10696 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL7960797 1.00 EGFR (0.45) EGFRERBB2ALDH1A1POLBKMT2A
SCHEMBL7960800 1.00 EGFR (0.45) EGFRERBB2ALDH1A1POLBKMT2A
SCHEMBL5363574 0.83 EGFR (0.61) EGFRERBB2ALDH1A1POLBKMT2A
SCHEMBL14532648 0.83 EGFR (0.61) EGFRERBB2ALDH1A1POLBKMT2A
SCHEMBL5362134 0.82 MEN1 (0.56) EGFRERBB2ALDH1A1KMT2ALMNA
SCHEMBL5362140 0.82 MEN1 (0.56) EGFRERBB2ALDH1A1KMT2ALMNA
SCHEMBL4565434 0.82 EGFR (0.52) EGFRALDH1A1POLBKMT2ACYP1A2
SCHEMBL4565432 0.82 EGFR (0.52) EGFRALDH1A1POLBKMT2ACYP1A2
SCHEMBL4565433 0.82 EGFR (0.52) EGFRALDH1A1POLBKMT2ACYP1A2
SCHEMBL5362128 0.82 MEN1 (0.56) EGFRERBB2ALDH1A1KMT2ALMNA

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