SCHEMBL6301182

SCHEMBL6301182

CCOC(=O)c1ccc(NC(C)=O)c(NCc2ccc(OCC)cc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 5/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 4/20 0.43
CYP1A2 P05177 1/20 0.43
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
KDM4E B2RXH2 2/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALOX15 P16050 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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 0.89 HDAC1 (0.54) KMT2ASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL7650334 0.89 ALDH1A1 (0.55) KMT2ASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL7657241 0.87 ALOX15 (0.47) KMT2ARAB9AALDH1A1LMNACYP1A2
SCHEMBL6301558 0.87 KMT2A (0.48) KMT2ASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL6301341 0.87 KMT2A (0.48) KMT2ASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL6301145 0.85 KMT2A (0.47) KMT2ASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL6430006 0.85 KMT2A (0.47) KMT2ASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL6303883 0.84 RAB9A (0.59) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL6307818 0.84 ALOX15 (0.45) KMT2ASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL6301413 0.83 KMT2A (0.45) KMT2ASMN1; SMN2RAB9ANPC1MAPT

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 4 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
US-6420409-B1 GLUCOSE TOLERANCE, DIABETES,INSULIN RESISTANCE, POLYCYSTIC OVARY SYNDROME, HYPERLIPIDEMIA, ATHEROSCLEROSIS, CARDIOVASCULAR DISORDERS, HYPERGLYCEMIA, HYPERTENSION, STENOCARDIA, PULMONARY HYPERTENSION, CONGESTIVE HEART FAILURE, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1142880-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
EP-1020452-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed