SCHEMBL10697280

SCHEMBL10697280

CCCCCN1C(=O)C(C)(C)c2cc(NC(C)=O)ccc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
THRB P10828 2/20 0.48
KDM4A O75164 1/20 0.48
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48
NPC1 O15118 1/20 0.42
TP53 P04637 3/20 0.41
HSPA9 P38646 3/20 0.41
LMNA P02545 2/20 0.41
MAOA P21397 1/20 0.40
SCN9A Q15858 4/20 0.40
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RGS12 O14924 1/20 0.39
NQO2 P16083 1/20 0.38

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
SCHEMBL10695502 0.96 MAPT (0.49) KMT2AMEN1MAPTSMN1; SMN2THRB
SCHEMBL10695610 0.91 MAPT (0.51) KMT2AMEN1MAPTSMN1; SMN2THRB
SCHEMBL10708746 0.86 MAPT (0.50) KMT2AMEN1MAPTSMN1; SMN2THRB
SCHEMBL10706414 0.83 MAPT (0.48) KMT2AMEN1MAPTSMN1; SMN2THRB
SCHEMBL2492094 0.79 MAPT (0.57) KMT2AMEN1MAPTSMN1; SMN2THRB
SCHEMBL10693959 0.79 ELANE (0.50) KMT2AMEN1MAPTSMN1; SMN2THRB
SCHEMBL5546481 0.78 MAPT (0.46) KMT2AMEN1MAPTSMN1; SMN2POLB
SCHEMBL5548196 0.77 MAPT (0.45) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL5546476 0.77 SCN9A (0.44) KMT2AMEN1SCN9A
SCHEMBL5548195 0.76 SCN9A (0.43) KMT2AMEN1SCN9A

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