SCHEMBL6301413

SCHEMBL6301413

CCCCc1ccc(CNc2cc(C(=O)OCC)ccc2NC(C)=O)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
RAB9A P51151 5/20 0.41
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 4/20 0.39
MAPT P10636 2/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL6301593 0.86 HDAC1 (0.54) KMT2AALDH1A1ALOX15RAB9ACYP1A2
SCHEMBL7650334 0.86 ALDH1A1 (0.55) KMT2AALDH1A1ALOX15RAB9ACYP1A2
SCHEMBL6301341 0.84 KMT2A (0.48) KMT2AALDH1A1ALOX15RAB9ACYP1A2
SCHEMBL6301558 0.84 KMT2A (0.48) KMT2AALDH1A1ALOX15RAB9ACYP1A2
SCHEMBL6307818 0.83 ALOX15 (0.45) KMT2AALOX15RAB9ACYP1A2SMN1; SMN2
SCHEMBL6301182 0.83 KMT2A (0.47) KMT2AALDH1A1ALOX15RAB9ACYP1A2
SCHEMBL6301145 0.82 KMT2A (0.47) KMT2AALDH1A1ALOX15RAB9ACYP1A2
SCHEMBL6430006 0.82 KMT2A (0.47) KMT2AALDH1A1ALOX15RAB9ACYP1A2
SCHEMBL6303883 0.82 RAB9A (0.59) KMT2AALDH1A1ALOX15RAB9ACYP1A2
SCHEMBL7652135 0.81 ALOX15 (0.49) KMT2AALDH1A1ALOX15RAB9ACYP1A2

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
US-6869950-B1 Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-03-22 US disclosed
EP-1142880-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed