SCHEMBL10697005

SCHEMBL10697005

CCCN1C(=O)C(C)(C)c2cc3c(cc21)NC(c1cccs1)N3

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 3/20 0.41
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 2/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 2/20 0.36
CASP1 P29466 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
CASP7 P55210 1/20 0.34
ADORA2B P29275 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.32
PGR P06401 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
SCHEMBL10695367 0.93 KDM4E (0.42) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL10696042 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDHSD17B10PGR
SCHEMBL10699769 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL10696318 0.77 KDM4E (0.41) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL10695728 0.77 MAPT (0.39) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL10696440 0.76 MEN1 (0.40) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL10701189 0.75 HSD17B10 (0.41) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL10696397 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL10695201 0.74 SCN9A (0.35) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL10566335 0.73 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDKMT2AMEN1

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