SCHEMBL7657052

SCHEMBL7657052

CCOC(=O)c1ccc(NC(C)=O)c(NCc2ccc([N+](=O)[O-])cc2Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 7/20 0.50
PKM P14618 4/20 0.50
LMNA P02545 4/20 0.50
MAPT P10636 9/20 0.49
ALDH1A1 P00352 7/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
GAA P10253 2/20 0.45
PTGER4 P35408 1/20 0.45
GALR2 O43603 1/20 0.44

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 0.86 ALDH1A1 (0.55) KMT2ASMN1; SMN2MAPTALDH1A1POLB
SCHEMBL6301593 0.86 HDAC1 (0.54) KMT2ASMN1; SMN2MEN1LMNAMAPT
SCHEMBL6301558 0.84 KMT2A (0.48) KMT2ASMN1; SMN2MEN1LMNAMAPT
SCHEMBL6301341 0.84 KMT2A (0.48) KMT2ASMN1; SMN2PKMLMNAMAPT
SCHEMBL6301182 0.83 KMT2A (0.47) KMT2ASMN1; SMN2MEN1LMNAMAPT
SCHEMBL6301145 0.82 KMT2A (0.47) KMT2ASMN1; SMN2MEN1LMNAMAPT
SCHEMBL6430006 0.82 KMT2A (0.47) KMT2ASMN1; SMN2MEN1MAPTALDH1A1
SCHEMBL6303883 0.82 RAB9A (0.59) KMT2ASMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL6301413 0.81 KMT2A (0.45) KMT2ASMN1; SMN2MEN1PKMLMNA
SCHEMBL6298861 0.78 KMT2A (0.55) KMT2ASMN1; SMN2MEN1PKMLMNA

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-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-1020452-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed