SCHEMBL7872338

SCHEMBL7872338

NC(=O)C(=O)N(N)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
ALDH1A1 P00352 7/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
LMNA P02545 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
MAPT P10636 4/20 0.44
POLB P06746 2/20 0.44
CTDSP1 Q9GZU7 2/20 0.44
HTT P42858 2/20 0.44
DDX3X O00571 1/20 0.44
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL8665636 0.87 TSHR (0.56) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL27851642 0.80 TSHR (0.47) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL9007543 0.79 ALDH1A1 (0.47) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL30883193 0.79 TSHR (0.57) TSHRALDH1A1KMT2AMEN1LMNA
Dinitrophenylene SCHEMBL27538648 0.75 TSHR (0.77) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL16879411 0.75 TSHR (0.53) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL14397069 0.75 TSHR (0.57) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL7876691 0.75 ALDH1A1 (0.47) TSHRALDH1A1KMT2ALMNAKDM4E
SCHEMBL28747054 0.75 TSHR (0.57) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL9379534 0.75 TSHR (0.57) TSHRALDH1A1KMT2AMEN1LMNA

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 9 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
US-5700823-A ADMINISTERING 5-METHYLISOXAZOLE-4-CARBOXYLIC ACID-(4-TRIFLUOROMETHYL)-ANILIDE OR N-(4-TRIFLUOROMETHYLPHENYL)-2-CYANO-3-HYDROXYCROTONAMIDE SUGEN, INC. (US) 1997-12-23 US disclosed
EP-0804191-A1 TREATMENT OF PLATELET DERIVED GROWTH FACTOR RELATED DISORDERS SUCH AS CANCERS USING INHIBITORS OF PLATELET DERIVED GROWTH RECEPTOR Sugen, Inc. (US) 1997-11-05 EP disclosed
WO-1995019169-A2 TREATMENT OF PLATELET DERIVED GROWTH FACTOR RELATED DISORDERS SUCH AS CANCER USING INHIBITORS OF PLATELET DERIVED GROWTH FACTOR RECEPTOR SUGEN, INC. (US) 1995-07-20 WO disclosed