SCHEMBL27658237

SCHEMBL27658237

CC(C(=O)C(C)N1CCN(C(=O)c2ccc(Br)cc2)CC1)N1CCN(C(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.60
POLB P06746 1/20 0.57
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
CHRNA7 P36544 1/20 0.50
MEN1 O00255 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GPR183 P32249 2/20 0.49
HRH3 Q9Y5N1 2/20 0.49
ABL1 P00519 2/20 0.49
BCR P11274 2/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL16809564 0.87 CHRNA7 (0.64) HPGDPOLBCA12CA1CA2
SCHEMBL27658238 0.82 HPGD (0.57) HPGDPOLBCA12CA1CA2
SCHEMBL4386969 0.80 HRH3 (0.64) HPGDPOLBCA12CA1CA2
SCHEMBL578679 0.78 POLB (0.87) HPGDPOLBCA12CA1CA2
SCHEMBL12621027 0.78 POLB (0.87) HPGDPOLBCA12CA1CA2
SCHEMBL2646094 0.78 HPGD (0.70) HPGDPOLBCA12CA1CA2
Hydrochloric Acid SCHEMBL27606633 0.77 POLB (0.84) HPGDPOLBCA12CA1CA2
SCHEMBL28067455 0.76 HPGD (0.72) HPGDPOLBCA12CA1CA2
SCHEMBL971083 0.76 HPGD (1.00) HPGDPOLBCA12CA1CA2
SCHEMBL644199 0.76 HPGD (0.92) HPGDPOLBCA12CA1CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1926127-A Novel 2-heteroaryl substituted benzimidazole derivatives BANYU PHARMA CO LTD (JP) 2007-03-07 CN disclosed