SCHEMBL7819474

SCHEMBL7819474

Nc1n[nH]c(-c2ccc(Cl)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 1.00
KDM4E B2RXH2 4/20 0.66
CYP1A2 P05177 2/20 0.66
ALDH1A1 P00352 2/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
DCUN1D1 Q96GG9 1/20 0.59
NR1H2 P55055 1/20 0.56
NR1H3 Q13133 1/20 0.56
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 2/20 0.54
TSHR P16473 2/20 0.54
HSD17B10 Q99714 3/20 0.53
GAA P10253 1/20 0.53
MKNK1 Q9BUB5 1/20 0.52
MKNK2 Q9HBH9 1/20 0.52
HPGD P15428 1/20 0.47
TYMP P19971 2/20 0.46

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
SCHEMBL8726601 0.83 ALPL (0.71) ALPLKDM4ECYP1A2ALDH1A1MEN1
SCHEMBL8731546 0.80 KDM4E (0.92) ALPLKDM4ECYP1A2ALDH1A1MEN1
SCHEMBL8808 0.80 ALPL (0.67) ALPLKDM4ECYP1A2ALDH1A1MEN1
SCHEMBL8729070 0.80 ALPL (0.67) ALPLKDM4ECYP1A2ALDH1A1MEN1
SCHEMBL5792174 0.80 ALPL (0.67) ALPLKDM4ECYP1A2ALDH1A1MEN1
SCHEMBL21359662 0.80 ALPL (0.67) ALPLKDM4ECYP1A2ALDH1A1MEN1
SCHEMBL2848588 0.79 ALPL (0.66) ALPLKDM4ECYP1A2ALDH1A1MEN1
SCHEMBL8731214 0.79 ALPL (0.66) ALPLKDM4ECYP1A2ALDH1A1MEN1
SCHEMBL2847578 0.79 KDM4E (1.00) ALPLKDM4ECYP1A2ALDH1A1MEN1
SCHEMBL8729497 0.78 ALPL (0.64) ALPLKDM4ECYP1A2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007042-A4 NOVEL HETEROARYL COMPOUNDS FOR THE MODULATION OF PROTEIN TYROSINE ENZYME RELATED CELLULAR SIGNAL TRANSDUCTION SUGEN INC (US) 2001-07-04 EP disclosed
US-6143765-A ENZYME IHIBITORS OF PROTEIN SUGEN, INC. (US) 2000-11-07 US disclosed
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
EP-1007042-A1 NOVEL HETEROARYL COMPOUNDS FOR THE MODULATION OF PROTEIN TYROSINE ENZYME RELATED CELLULAR SIGNAL TRANSDUCTION Sugen, Inc. (US) 2000-06-14 EP disclosed
US-5883110-A ORGANIC MOLECULES CAPABLE OF INHIBITING PROTEIN TYROSINE PHOSPHATASE ACTIVITY, AND THE USE OF SUCH MOLECULES TO TREAT VARIOUS DISEASE STATES INCLUDING DIABETES MELLITUS, GLIOMA, MELANOMA, KAPOSI'S SARCOMA, HEMANGIOMA, OVARIAN CANCER, BREAST SUGEN, INC. (US) 1999-03-16 US disclosed
WO-1998056376-A1 NOVEL HETEROARYL COMPOUNDS FOR THE MODULATION OF PROTEIN TYROSINE ENZYME RELATED CELLULAR SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-12-17 WO disclosed
US-5798374-A ADMINISTERING A 2-(5-NITROTHIAZOL-2-YL)MERCAPTO-1,2,4-TRIAZOLE DERIVATIVE TO TREAT VARIOUS DISEASE STATES INCLUDING DIABETES MELLITUS SUGEN INC. (US) 1998-08-25 US disclosed
CN-1184635-A Pharmaceutical compositions and methods for modulating signal transduction SUGEN INC (US) 1998-06-17 CN disclosed
US-5750545-A EXHIBIT EOSINOPHIL-INHIBITORY ACTION AND LYMPHOCYTE ACTIVATION-INHIBITORY ACTION; USEFUL FOR TREATMENT OF IMMUNE-RELATED DISEASES THE GREEN CROSS CORPORATION (JP) 1998-05-12 US disclosed
EP-0710654-A1 TRIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-08 EP disclosed
US-4113717-A Quaternized azo dyestuffs IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-12 US disclosed
US-4111929-A POLYACRYLONITRILE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-05 US disclosed