SCHEMBL7300318

SCHEMBL7300318

CC(=O)Nc1c(Br)cnn1C

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL3772649 0.85 MEN1 (0.59) MEN1KMT2AHTTSMN1; SMN2GAA
SCHEMBL23087216 0.77 MEN1 (0.66) MEN1KMT2AHTTCYP1A2CYP2C19
SCHEMBL31437520 0.76 CSNK2A1 (0.40) MEN1KMT2ASMN1; SMN2GAALMNA
SCHEMBL24483849 0.75 MEN1 (0.39) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL4910016 0.75 KMT2A (0.63) MEN1KMT2AHTTSMN1; SMN2GAA
SCHEMBL13002938 0.74
SCHEMBL14281214 0.72 KMT2A (0.59) MEN1KMT2ASMN1; SMN2GAALMNA
SCHEMBL14710744 0.71 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL4911425 0.71 MEN1 (0.61) MEN1KMT2AHTTSMN1; SMN2GAA
SCHEMBL24553896 0.71 HTT (0.50) KMT2AHTTSMN1; SMN2GAACYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604353-B1 Benzimidazole compounds, their preparation and use NEUROSEARCH AS (DK) 1998-07-01 EP disclosed
US-5441969-A Imidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1995-08-15 US disclosed
EP-0604353-A1 Benzimidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1994-06-29 EP disclosed