SCHEMBL10697356

SCHEMBL10697356

CCCCCN1C(=O)C(C)(C)c2cc3c(cc21)NC(c1ccc(SC)cc1)N3

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
SCN9A Q15858 6/20 0.35
CYP19A1 P11511 3/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 2/20 0.33
FAAH O00519 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX12 P18054 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL10696440 0.92 MEN1 (0.40) MEN1KMT2AGAANPC1CYP19A1
SCHEMBL10697456 0.89 MEN1 (0.40) MEN1KMT2AGAANPC1CNR1
SCHEMBL10693698 0.85 KDM4E (0.40) SCN9ACYP19A1CNR2ALDH1A1HSD17B10
SCHEMBL10695289 0.84 SCN9A (0.34) MEN1KMT2AGAASCN9ACNR1
SCHEMBL10695087 0.82 TNKS2 (0.44) MEN1KMT2AGAASCN9AALDH1A1
SCHEMBL10696397 0.81 ALDH1A1 (0.40) MEN1KMT2AGAACYP19A1ALDH1A1
SCHEMBL10695201 0.81 SCN9A (0.35) MEN1KMT2AGAASCN9ACNR1
SCHEMBL10695114 0.81 SCN9A (0.37) MEN1KMT2AGAASCN9ACNR2
SCHEMBL10695491 0.79 MAPT (0.42) MEN1KMT2AGAASCN9ACNR2
SCHEMBL10695367 0.78 KDM4E (0.42) MEN1KMT2AGAASCN9ACNR2

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