SCHEMBL10693769

SCHEMBL10693769

CCCCN1C(=O)C(C)(C)c2cc3c(cc21)NC(Cc1ccsc1)N3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4A O75164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 3/20 0.32
THRB P10828 1/20 0.32
CNR1 P21554 2/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL10695728 0.82 MAPT (0.39) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL10695201 0.81 SCN9A (0.35) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL10693758 0.74 AURKA (0.41) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL10696397 0.73 ALDH1A1 (0.40) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL10695367 0.72 KDM4E (0.42) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL10695087 0.72 TNKS2 (0.44) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL10701189 0.72 HSD17B10 (0.41) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL10695666 0.71 CREBBP (0.40) MAPTMEN1KMT2AGAACREBBP
SCHEMBL10698241 0.71 ADORA2B (0.34) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL10693698 0.70 KDM4E (0.40) ALDH1A1HSD17B10KDM4ESCN9A

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