SCHEMBL10694972

SCHEMBL10694972

CC1C(=O)N(C)c2cc3c(cc21)nc(-c1ccc(O)cc1)n3C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
ESR1 P03372 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
CHEK2 O96017 1/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 3/20 0.34
PKM P14618 2/20 0.34

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
SCHEMBL10695550 0.87 MEN1 (0.47) MEN1KMT2ACA1CA2CA12
SCHEMBL10700981 0.86 MEN1 (0.37) MEN1KMT2ACA1CA2CA12
SCHEMBL10698685 0.85 DHODH (0.39) MEN1KMT2ACA1CA2CA12
SCHEMBL10697969 0.83 MEN1 (0.35) MEN1KMT2ACA1CA2CA12
SCHEMBL10696064 0.82 MEN1 (0.47) MEN1KMT2ACA1CA2CA12
SCHEMBL10698416 0.82 MEN1 (0.37) MEN1KMT2ACA1CA2CA12
SCHEMBL10695097 0.81 PARP1 (0.40) MEN1KMT2ACA1CA2CA12
SCHEMBL10699273 0.81 DHODH (0.39) MEN1KMT2ACA1CA2CA12
SCHEMBL10697536 0.79 MEN1 (0.35) MEN1KMT2ACA1CA2CA12
SCHEMBL10695521 0.76 CYP11B2 (0.53) HTT

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-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed