SCHEMBL9688325

SCHEMBL9688325

N=C(N)Nc1ccc(C(=O)Oc2cc(Cl)cc(OC(=O)C3CCCC3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 3/20 0.39
ELANE P08246 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PLAU P00749 1/20 0.36
HPN P05981 1/20 0.36
USP2 O75604 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9690546 0.99 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2MEN1MAPTLMNA
SCHEMBL9690353 0.98 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2MEN1MAPTLMNA
SCHEMBL9689332 0.96 MEN1 (0.43) KMT2ASMN1; SMN2MEN1ELANEPLAU
SCHEMBL9689274 0.89 POLB (0.50) KMT2ASMN1; SMN2MEN1MAPTLMNA
SCHEMBL9690569 0.88 POLB (0.52) KMT2ASMN1; SMN2MEN1MAPTLMNA
SCHEMBL9690308 0.87 POLB (0.47) KMT2ASMN1; SMN2MEN1MAPTLMNA
SCHEMBL9688343 0.84 POLB (0.43) KMT2AMEN1MAPTPOLBELANE
SCHEMBL7336185 0.84 SMN1; SMN2 (0.44) KMT2ASMN1; SMN2MEN1MAPTLMNA
SCHEMBL7336821 0.83 SMN1; SMN2 (0.43) KMT2ASMN1; SMN2MEN1MAPTLMNA
SCHEMBL7336430 0.82 SMN1; SMN2 (0.44) KMT2ASMN1; SMN2MEN1MAPTLMNA

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-0486702-A1 PHENYL 4-GUANIDINOBENZOATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PROTEASE INHIBITOR CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1992-05-27 EP disclosed