SCHEMBL16087635

SCHEMBL16087635

O=C1c2ccccc2C(=O)N1CCNc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 4/20 0.56
GLS O94925 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
ACHE P22303 4/20 0.50
NPC1 O15118 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL3062593 0.88 RPS6KA2 (0.73) RPS6KA2KMT2ASMN1; SMN2HPGDACHE
SCHEMBL1296639 0.86 ACHE (0.64) MEN1KMT2ASMN1; SMN2HPGDACHE
SCHEMBL2754749 0.82 RAB9A (0.55) RPS6KA2GLSMEN1KMT2ASMN1; SMN2
SCHEMBL11237861 0.82 CYP1A2 (0.57) RPS6KA2MEN1KMT2AHPGDRAB9A
SCHEMBL10819269 0.82 RPS6KA2 (0.74) RPS6KA2MEN1KMT2ANPC1CASP3
SCHEMBL9304609 0.81 RPS6KA2 (0.77) RPS6KA2MEN1KMT2A
SCHEMBL10837643 0.80 RPS6KA2 (0.44) RPS6KA2GLSMEN1KMT2ASMN1; SMN2
SCHEMBL805142 0.80 OGA (0.70) GLSSMN1; SMN2ACHENPC1CASP3
SCHEMBL7973833 0.79 OGA (0.68) GLSSMN1; SMN2ACHENPC1CASP3
SCHEMBL6699936 0.77 GLS (0.71) GLSSMN1; SMN2NPC1CASP3RAB9A

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-2167496-B1 AZO DYES HUNTSMAN ADV MAT SWITZERLAND (CH) 2014-09-24 EP disclosed