SCHEMBL5564213

SCHEMBL5564213

Cc1nc2cc(C(=O)N(C)C)cc(OCc3ccccc3)c2n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.50
LRRK2 Q5S007 1/20 0.43
ALDH1A1 P00352 2/20 0.40
SRD5A2 P31213 2/20 0.40
KMT2A Q03164 1/20 0.40
SRD5A1 P18405 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
STAT3 P40763 1/20 0.40
HTT P42858 1/20 0.40
RHEB Q15382 1/20 0.40
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
SMPD1 P17405 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
EGFR P00533 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
SCHEMBL1940860 0.86 BRD4 (0.45) BRD4LRRK2ALDH1A1KMT2ACYP11B1
SCHEMBL4662880 0.83 BRD4 (0.50) BRD4LRRK2ALDH1A1SRD5A2KMT2A
SCHEMBL16428100 0.78 STAT3 (0.46) ALDH1A1SRD5A2KMT2ASRD5A1SMN1; SMN2
SCHEMBL14521393 0.76 PTGER4 (0.39) BRD4ALDH1A1SMN1; SMN2STAT3HTT
SCHEMBL1940913 0.76 STING1 (0.40) BRD4ALDH1A1KMT2ASMN1; SMN2STAT3
SCHEMBL14521330 0.75 STING1 (0.40) BRD4ALDH1A1SMN1; SMN2STAT3HTT
SCHEMBL9528588 0.75 L3MBTL1 (0.53) BRD4ALDH1A1SMN1; SMN2STAT3HTT
SCHEMBL4662927 0.74 BRD4 (0.48) BRD4LRRK2ALDH1A1SRD5A2SRD5A1
SCHEMBL30501981 0.74 BRD4 (0.48) BRD4LRRK2SMN1; SMN2CYP11B1CYP11B2
SCHEMBL1942913 0.74 GLP1R (0.45) ALDH1A1SRD5A2KMT2ASRD5A1HTT

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-1756067-A1 7-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC ACID SECRETION Altana Pharma AG (DE) 2007-02-28 EP disclosed
WO-2005111000-A1 7-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC ACID SECRETION ALTANA PHARMA AG (DE) 2005-11-24 WO disclosed