SCHEMBL9769555

SCHEMBL9769555

NN(C(=O)c1ccccc1C(=O)N(N)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.52
ALDH1A1 P00352 4/20 0.46
ALOX15 P16050 1/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
TP53 P04637 2/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATR Q13535 1/20 0.42
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
MEN1 O00255 1/20 0.39
MYC P01106 1/20 0.39
NR4A1 P22736 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL9769553 0.94 ALDH1A1 (0.58) NPSR1ALDH1A1ALOX15POLBATM
SCHEMBL28147856 0.87 KDM4E (0.56) NPSR1ALDH1A1ALOX15POLBKMT2A
SCHEMBL28659962 0.87 ALDH1A1 (0.49) NPSR1ALDH1A1POLBKMT2ANPC1
SCHEMBL5868364 0.86 ALDH1A1 (0.54) NPSR1ALDH1A1ALOX15KMT2ANPC1
SCHEMBL11674348 0.86 POLB (0.66) NPSR1ALDH1A1POLBKMT2ANPC1
SCHEMBL11673653 0.86 KMT2A (0.53) NPSR1ALDH1A1POLBKMT2ANPC1
SCHEMBL28672305 0.86 HPGD (0.51) NPSR1ALDH1A1ALOX15POLBKMT2A
SCHEMBL10949416 0.84 NPSR1 (0.50) NPSR1ALDH1A1POLBKMT2ANPC1
SCHEMBL407836 0.84 L3MBTL1 (0.50) NPSR1ALDH1A1POLBKMT2ANPC1
SCHEMBL9001692 0.83 NPSR1 (0.61) NPSR1ALDH1A1ALOX15POLBKMT2A

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
US-5041667-A Process for producing chlorophenylhydrazine compounds KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1991-08-20 US disclosed
EP-0197478-B1 DIPHOSPHONIC-ACID DERIVATIVES, PROCESS FOR PREPARING THEM AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1990-09-19 EP disclosed
EP-0208477-A1 Process for producing chlorophenylhydrazine compounds KONICA CORPORATION (JP) 1987-01-14 EP disclosed
EP-0197478-A1 Diphosphonic-acid derivatives, process for preparing them and medicines containing these compounds Roche Diagnostics GmbH (DE) 1986-10-15 EP disclosed