SCHEMBL7751013

SCHEMBL7751013

COC(=O)c1ccc(CNc2cc(C(=O)NN3CCCC3)ccc2N)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.44
MAPK10 P53779 1/20 0.44
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
LNPEP Q9UIQ6 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
PKM P14618 1/20 0.41
HDAC1 Q13547 4/20 0.41
CYP2C9 P11712 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL7752260 0.99 MAPK8 (0.45) MAPK8MAPK10RAB9AKDM4ENPC1
SCHEMBL7752202 0.80 CA1 (0.52) KDM4ECA1CA2LNPEPHDAC8
SCHEMBL7871463 0.77 HDAC1 (0.56) KDM4ECA1CA2LNPEPHDAC1
SCHEMBL16042130 0.77 CA1 (0.50) KDM4ECA1CA2LNPEPHDAC1
SCHEMBL23286785 0.76 CA1 (0.61) KDM4ECA1CA2LNPEPHDAC8
SCHEMBL7752228 0.75 PPM1D (0.43) CA1CA2LNPEPHDAC8HDAC1
SCHEMBL13175564 0.74 KMT2A (0.49) RAB9AKDM4ENPC1SMN1; SMN2NPSR1
SCHEMBL13017388 0.74 CA1 (0.53) KDM4ESMN1; SMN2CA1CA2LNPEP
SCHEMBL5363438 0.73 CA1 (0.51) RAB9AKDM4ENPC1SMN1; SMN2CA1
SCHEMBL13575472 0.73 HTT (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1069113-A1 BENZIMIDAZOLE DERIVATIVE Kureha Chemical Industry Co., Ltd. (JP) 2001-01-17 EP disclosed