SCHEMBL7872344

SCHEMBL7872344

CCOc1cc(C=C(C#N)C(=O)OC)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.70
KMT2A Q03164 6/20 0.70
ALDH1A1 P00352 5/20 0.70
MAPT P10636 4/20 0.70
KLK7 P49862 3/20 0.69
ST14 Q9Y5Y6 1/20 0.69
LMNA P02545 1/20 0.59
PKM P14618 1/20 0.59
HTT P42858 1/20 0.59
GAA P10253 2/20 0.58
TP53 P04637 1/20 0.58
THRB P10828 1/20 0.58
HPGD P15428 1/20 0.58
TOP2A P11388 1/20 0.55
DNM1 Q05193 3/20 0.54
MAPK1 P28482 1/20 0.54
CSNK2A1 P68400 1/20 0.53
KLK14 Q9P0G3 1/20 0.53
KLK5 Q9Y337 1/20 0.53
ALPI P09923 1/20 0.52

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
SCHEMBL6874677 0.87 MEN1 (0.77) MEN1KMT2AALDH1A1MAPTKLK7
SCHEMBL6874673 0.87 MEN1 (0.77) MEN1KMT2AALDH1A1MAPTKLK7
SCHEMBL20162241 0.83 TOP2A (0.62) MEN1KMT2AALDH1A1MAPTKLK7
SCHEMBL9347102 0.83 DNM1 (0.72) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL9347097 0.83 DNM1 (0.72) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2270723 0.82 ALDH1A1 (1.00) MEN1KMT2AALDH1A1MAPTKLK7
SCHEMBL30883296 0.82 ALDH1A1 (1.00) MEN1KMT2AALDH1A1MAPTKLK7
SCHEMBL22897308 0.82 ALDH1A1 (1.00) MEN1KMT2AALDH1A1MAPTKLK7
SCHEMBL21457153 0.80 ALDH1A1 (0.58) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL10241955 0.80 ALDH1A1 (0.60) MEN1KMT2AALDH1A1MAPTKLK7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6331555-B1 EVALUATING SUSCEPTIBILITY OF CANCER TO COMPOUNDS WHICH INHIBIT PLATELET DERIVED GROWTH FACTOR RECEPTOR ACTIVITY UNIVERSITY OF CALIFORNIA 2001-12-18 US disclosed
EP-1000617-A2 Treatment of platelet derived growth factor related disorders such as cancers using inhibitors of platelet derived growth receptor Sugen, Inc. (US) 2000-05-17 EP disclosed
US-5990141-A ADMINISTERING 5-METHYL-ISOXAZOLE-4-CARBOXYLIC ACID-N-(4-TRIFLUOROMETHYL)ANILIDE OR 2-CYANO-3-HYDROXY-N-(4-TRIFLUORO-METHYL)PHENYL-2-BUTENAMIDE; ANTITUMOR,-CARCINOGENIC AND PROLIFERATIVE AGENTS; KINASE INHIBITORS SUGEN INC. (US) 1999-11-23 US disclosed
US-5958959-A ADMINISTERING 5-METHYLISOXAZOLE-4-CARBOXYLIC ACID-(4-TRIFLUOROMETHYL)ANILIDE OR 2-CYANO-3-HYDROXY-N-(4-(TRIFLUOROMETHYL)PHENYL)-2-BUTENAMIDE SUGEN, INC. (US) 1999-09-28 US disclosed
US-5932602-A ANTIGROWTH AGENTS; ANTITUMOR AGENT; USING AN ISOOXIDAZOLE COMPOUND SUGEN, INC. (US) 1999-08-03 US disclosed
US-5700822-A ADMINISTERING TO THE PATIENT AN EFFECTIVE AMOUNT OF ISOXAZOLE AMIDE DERIVATIOVE AND CYANO, HYDROXY, AROMATIC AMIDE DERIVATIVE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-12-23 US disclosed