SCHEMBL2167129

SCHEMBL2167129

O=C(c1cccs1)N(CC1C2CN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC12)c1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 4/20 0.41
MAOB P27338 2/20 0.40
ALDH1A1 P00352 4/20 0.37
TSHR P16473 3/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 3/20 0.37
MAPK1 P28482 3/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35

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
SCHEMBL2170224 0.94 KMT2A (0.41) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2170672 0.94 KMT2A (0.41) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2167412 0.92 MAPT (0.44) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2168634 0.92 KMT2A (0.43) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2168711 0.92 KMT2A (0.38) KMT2ANPC1RAB9ALMNAMAOB
SCHEMBL2177825 0.91 KMT2A (0.45) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2168254 0.91 KMT2A (0.41) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2168043 0.91 NPC1 (0.43) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2167946 0.91 NPC1 (0.39) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2168916 0.90 KMT2A (0.42) KMT2ANPC1RAB9ASMN1; SMN2LMNA

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
JP-4732354-B2 2011-07-27 JP claimed