SCHEMBL6987820

SCHEMBL6987820

CCCC(Cc1ccccc1)(C(=O)NN)C(=O)[C@@H](C[C@H](CCCC1CCCCC1)C(=O)NO)n1cncn1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.35

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.35
MMP3 P08254 8/20 0.35
MMP1 P03956 7/20 0.35
MAPT P10636 1/20 0.34
BMP1 P13497 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
FKBP1A P62942 2/20 0.31
REN P00797 1/20 0.31
NMT1 P30419 1/20 0.31
ADAM17 P78536 1/20 0.31

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
SCHEMBL6983355 0.80 BMP1 (0.33) MMP2MMP3MMP1BMP1KDM4E
SCHEMBL7817129 0.80 ADAM17 (0.33) MMP2MMP3MMP1BMP1ADAM17
SCHEMBL6981859 0.79 BMP1 (0.34) MMP2MMP3MMP1BMP1
SCHEMBL6987034 0.79 BMP1 (0.33) MMP2MMP3MMP1BMP1KDM4E
SCHEMBL6987345 0.75 MMP2 (0.35) MMP2MMP3MMP1BMP1FKBP1A
SCHEMBL6988468 0.74 MMP2 (0.35) MMP2MMP3MMP1BMP1FKBP1A
SCHEMBL6987056 0.74 MMP2 (0.35) MMP2MMP3MMP1BMP1FKBP1A
SCHEMBL6987824 0.73 MMP2 (0.34) MMP2MMP3MMP1BMP1KDM4E
SCHEMBL6989595 0.70 BMP1 (0.35) BMP1
SCHEMBL7931073 0.70 BMP1 (0.33) MMP2MMP3MMP1BMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
US-6239151-B1 TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, HOFFMANN-LA ROCHE INC. 2001-05-29 US disclosed