SCHEMBL9416331

SCHEMBL9416331

Cc1cc(Nc2ccc(Cl)cc2)n(C)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
GAA P10253 6/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
HPGD P15428 3/20 0.61
MAPT P10636 3/20 0.58
LMNA P02545 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
ALPG P10696 1/20 0.58
ALDH1A1 P00352 2/20 0.51
HSD17B10 Q99714 1/20 0.51
HTT P42858 2/20 0.48
TP53 P04637 2/20 0.47
POLB P06746 2/20 0.47
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
BCL6 P41182 1/20 0.45
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL11482146 0.86 SMN1; SMN2 (0.59) MEN1KMT2AGAASMN1; SMN2HPGD
SCHEMBL4909832 0.79 HTT (0.47) MEN1KMT2AGAASMN1; SMN2HPGD
SCHEMBL13440739 0.75 ABL1 (0.50) MEN1KMT2APOLB
SCHEMBL13440743 0.74 MEN1 (0.43) MEN1KMT2AGAASMN1; SMN2HPGD
SCHEMBL28282789 0.73 HPGD (0.53) MEN1KMT2AGAASMN1; SMN2HPGD
SCHEMBL14132985 0.73 TP53 (0.74) MEN1KMT2ASMN1; SMN2HPGDMAPT
SCHEMBL11706158 0.72 MEN1 (0.53) MEN1KMT2AGAASMN1; SMN2MAPT
SCHEMBL4520789 0.70 GRM5 (0.63) MEN1KMT2AGAASMN1; SMN2HPGD
SCHEMBL27728861 0.70 KMT2A (0.51) MEN1KMT2AGAASMN1; SMN2HPGD
SCHEMBL13827695 0.70 GAA (0.57) MEN1KMT2AGAASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0627423-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AND AGROHORTICULTURAL BACTERICIDE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1994-12-07 EP disclosed