SCHEMBL6301558

SCHEMBL6301558

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 5/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
RAB9A P51151 4/20 0.43
CYP1A2 P05177 1/20 0.43
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 5/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
STAT1 P42224 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
PTGER4 P35408 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 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
SCHEMBL7650334 0.89 ALDH1A1 (0.55) KMT2AALDH1A1HDAC8HDAC1HDAC6
SCHEMBL6301593 0.89 HDAC1 (0.54) KMT2AALDH1A1HDAC8HDAC1HDAC6
SCHEMBL6301341 0.88 KMT2A (0.48) KMT2AALDH1A1HDAC8HDAC1HDAC6
SCHEMBL6301182 0.87 KMT2A (0.47) KMT2AALDH1A1HDAC8HDAC1HDAC6
SCHEMBL6430006 0.86 KMT2A (0.47) KMT2AALDH1A1HDAC8HDAC1HDAC6
SCHEMBL6301145 0.86 KMT2A (0.47) KMT2AALDH1A1HDAC8HDAC1HDAC6
SCHEMBL6303883 0.85 RAB9A (0.59) KMT2AALDH1A1HDAC8HDAC1HDAC6
SCHEMBL6301413 0.84 KMT2A (0.45) KMT2AALDH1A1HDAC8HDAC1HDAC6
SCHEMBL7657052 0.84 KMT2A (0.58) KMT2AALDH1A1RAB9AKDM4EPOLB
SCHEMBL6307818 0.81 ALOX15 (0.45) KMT2ARAB9ACYP1A2ALOX15POLB

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