SCHEMBL6989595

SCHEMBL6989595

CCCC(C[C@@H](c1ccc(C)cc1)[C@H](CCCC1CCCCC1)C(=O)NO)(C(=O)Cn1ccnc1)C(=O)NN.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 6)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 5/20 0.35
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP19A1 P11511 3/20 0.30
PLAU P00749 1/20 0.30
HPN P05981 1/20 0.30

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
SCHEMBL6986895 0.85 BMP1 (0.31) BMP1ALDH1A1SMN1; SMN2
SCHEMBL6982618 0.76 BMP1 (0.35) BMP1
SCHEMBL7931073 0.75 BMP1 (0.33) BMP1
SCHEMBL6981859 0.74 BMP1 (0.34) BMP1
SCHEMBL6987056 0.74 MMP2 (0.35) BMP1
SCHEMBL6987383 0.73 BMP1 (0.33) BMP1
SCHEMBL6987034 0.71 BMP1 (0.33) BMP1
SCHEMBL6987345 0.71 MMP2 (0.35) BMP1
SCHEMBL6983355 0.71 BMP1 (0.33) BMP1
SCHEMBL6988468 0.71 MMP2 (0.35) BMP1

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