SCHEMBL10698037

SCHEMBL10698037

COCCN1C(=O)C(C)(C)c2cc3c(cc21)NC(c1ccncc1)N3

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
AURKA O14965 2/20 0.32
RECQL P46063 2/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
AURKB Q96GD4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BACE1 P56817 3/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
HASPIN Q8TF76 1/20 0.31
ALOX15 P16050 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
SCHEMBL10696042 0.88 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10L3MBTL1LMNA
SCHEMBL10698284 0.88 MEN1 (0.39) ALDH1A1KDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL10700273 0.88 TNKS2 (0.43) ALDH1A1KDM4ELMNAMAPTGPBAR1
SCHEMBL10698974 0.88 KMT2A (0.37) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL10698603 0.87 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10L3MBTL1LMNA
SCHEMBL10696613 0.87 AURKA (0.40) ALDH1A1KDM4EHSD17B10L3MBTL1LMNA
SCHEMBL10696397 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10MAPTTDP1
SCHEMBL10693698 0.85 KDM4E (0.40) ALDH1A1KDM4EHSD17B10
SCHEMBL10698676 0.85 KDM4E (0.35) ALDH1A1KDM4EHSD17B10L3MBTL1LMNA
SCHEMBL10700914 0.84 HPGD (0.38) ALDH1A1KDM4EHSD17B10L3MBTL1LMNA

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