SCHEMBL10698552

SCHEMBL10698552

COCCN1C(=O)C(C)c2cc3c(cc21)N(C)C(c1ccccn1)N3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 4/20 0.36
KDM4E B2RXH2 10/20 0.36
ALDH1A1 P00352 9/20 0.36
HPGD P15428 5/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
POLB P06746 1/20 0.36
GAA P10253 3/20 0.36
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.32
GLA P06280 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 2/20 0.32
BRD4 O60885 1/20 0.31
CCL2 P13500 1/20 0.31

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
SCHEMBL10699249 0.86 HPGD (0.37) PDE6DKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL10699882 0.84 KDM4E (0.35) KDM4EALDH1A1HPGDSMN1; SMN2CASP1
SCHEMBL10699780 0.81 BMPR1B (0.37) PDE6DKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL10697977 0.79 MEN1 (0.36) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL10700950 0.79 MEN1 (0.36) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL10707505 0.76 CA12 (0.44) KDM4EALDH1A1HPGDRAB9AHSD17B10
SCHEMBL10700930 0.74 ALDH1A1 (0.34) KDM4EALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL10698891 0.73 ALDH1A1 (0.36) PDE6DKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL10700676 0.73 ALDH1A1 (0.38) KDM4EALDH1A1SMN1; SMN2GAATSHR
SCHEMBL10698542 0.73 CA12 (0.44) KDM4EALDH1A1HPGDRAB9AHSD17B10

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