SCHEMBL6986385

SCHEMBL6986385

O=C(Cl)CCN1Cc2ccccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
NCOR2 Q9Y618 2/20 0.51
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.48
USP2 O75604 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALOX15 P16050 1/20 0.48
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
DRD3 P35462 3/20 0.45
HTR1A P08908 3/20 0.45
DRD2 P14416 3/20 0.45
HTR7 P34969 3/20 0.45
HRH1 P35367 2/20 0.45

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
Hydrochloric Acid SCHEMBL6986394 0.81 KDM4E (0.54) HDAC3HDAC1HDAC8NCOR2HSD17B10
SCHEMBL30072993 0.76 ALDH1A1 (0.59) KDM4EALDH1A1SIGMAR1DRD3HTR1A
SCHEMBL16993484 0.74 HDAC3 (0.55) HDAC3HDAC1HDAC8NCOR2HSD17B10
SCHEMBL377727 0.73 ALDH1A1 (0.52) HDAC3HDAC1HDAC8NCOR2HSD17B10
SCHEMBL6712670 0.73 ALDH1A1 (0.52) HSD17B10KDM4EALDH1A1TMEM97SIGMAR1
SCHEMBL377728 0.73 ALDH1A1 (0.52) HDAC3HDAC1HDAC8NCOR2HSD17B10
SCHEMBL29367146 0.73 ALDH1A1 (0.52) HDAC3HDAC1HDAC8NCOR2HSD17B10
SCHEMBL30969293 0.72 ALDH1A1 (0.51) HDAC3HDAC1HDAC8NCOR2HSD17B10
SCHEMBL3477555 0.72 HDAC3 (0.70) HDAC3HDAC1HDAC8NCOR2KDM4E
Hydrochloric Acid SCHEMBL25366946 0.71 ALDH1A1 (0.50) HDAC3HDAC1HDAC8NCOR2HSD17B10

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 4 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
EP-1089964-A1 HYDRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2001-04-11 EP disclosed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 WO disclosed