SCHEMBL9054261

SCHEMBL9054261

O=C(NCCc1ccccc1)Nc1cc(C(=O)OCc2ccccc2)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 6/20 0.56
RAB9A P51151 6/20 0.56
NPC1 O15118 6/20 0.56
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 3/20 0.56
GAA P10253 1/20 0.56
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.53
CNR1 P21554 1/20 0.49
TRPV1 Q8NER1 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL9058109 0.86 KMT2A (0.55) MAPTSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL8129491 0.84 KMT2A (0.62) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL7096104 0.82 EPHX1 (0.55) MAPTSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL8130235 0.80 RAB9A (0.67) MAPTSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL8138188 0.79 LNPEP (0.57) MAPTSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL8134790 0.78 LMNA (0.53) MAPTSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL8138192 0.77 ROCK2 (0.50) MAPTSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL8122584 0.76 KMT2A (0.57) MAPTSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL8130037 0.73 CNR1 (0.58) MAPTSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL8121260 0.73 HTT (0.56) MAPTSMN1; SMN2RAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0720601-A1 GASTRIN AND CCK RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1996-07-10 EP disclosed
WO-1995004720-A2 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 1995-02-16 WO disclosed