SCHEMBL7752260

SCHEMBL7752260

COC(=O)c1ccc(CNc2cc(C(=O)NN3CCCCC3)ccc2N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.45
MAPK10 P53779 1/20 0.45
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PKM P14618 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ALDH1A1 P00352 3/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.41
LNPEP Q9UIQ6 1/20 0.41
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
CYP2C9 P11712 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL7751013 0.99 MAPK8 (0.44) MAPK8MAPK10RAB9AKDM4ENPC1
SCHEMBL7752202 0.79 CA1 (0.52) KDM4ECA1CA2ALDH1A1GAA
SCHEMBL7752228 0.76 PPM1D (0.43) CA1CA2ALDH1A1LNPEPHDAC8
SCHEMBL16042130 0.76 CA1 (0.50) KDM4ECA1CA2ALDH1A1GLA
SCHEMBL7871463 0.76 HDAC1 (0.56) KDM4ECA1CA2ALDH1A1KMT2A
SCHEMBL23286785 0.75 CA1 (0.61) KDM4EPKMCA1CA2ALDH1A1
SCHEMBL13575472 0.74 HTT (0.50) RAB9AKDM4ENPC1SMN1; SMN2NPSR1
SCHEMBL2955197 0.73 HTT (0.58) RAB9AKDM4ENPC1SMN1; SMN2NPSR1
SCHEMBL9064272 0.73 HTT (0.58) RAB9AKDM4ENPC1SMN1; SMN2NPSR1
SCHEMBL13175564 0.73 KMT2A (0.49) RAB9AKDM4ENPC1SMN1; SMN2NPSR1

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-6242445-B1 CURATIVE EFFECTS FOR CARDIAC AND NEPHRIC DISEASES, ALTHOUGH HAVING LITTLE ACTION ON BLOOD-PRESSURE. KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2001-06-05 US disclosed
EP-1069113-A1 BENZIMIDAZOLE DERIVATIVE Kureha Chemical Industry Co., Ltd. (JP) 2001-01-17 EP disclosed