SCHEMBL6602257

SCHEMBL6602257

COc1cc(C2=NN(C(=O)c3ccccc3NC(=O)c3ccncc3)CCC2)ccc1S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 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
SCHEMBL6601582 0.90 MAOB (0.48) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL6601093 0.86 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL6600783 0.86 RXFP1 (0.43) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL7646891 0.85 MAOB (0.41) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL6603362 0.84 PDE5A (0.54) KMT2AMEN1
SCHEMBL143512 0.81 AAK1 (0.52) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL6605566 0.80 CFTR (0.47) ALDH1A1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL6602833 0.79 AHR (0.50) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL6601212 0.79 MAOB (0.48) ALDH1A1KMT2AMAPTHTTPOLB
SCHEMBL146153 0.79 ABCG2 (0.45) ALDH1A1KMT2AMEN1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922036-B1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 2004-03-24 EP disclosed
US-6479494-B1 THEY INHIBIT SELECTIVELY PHOSPHODIESTERASE IV, WHICH CAUSES AN INCREASE OF THE INTRACELLULAR CAMP LEVEL AS CAMP INHIBITS BONE DECREASING CELLS AND STIMULATES BONE INCREASING CELLS FOR TREATMENT OF OSTEOPOROSIS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-11-12 US disclosed
US-6107295-A Arylalkanoyl pyridazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-22 US disclosed