SCHEMBL10498787

SCHEMBL10498787

C=CCOCCn1c(CN2CCN(C)CC2)nc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
USP2 O75604 1/20 0.63
KMT2A Q03164 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
GRM2 Q14416 3/20 0.52
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL10499733 0.86 MEN1 (0.65) MEN1USP2KMT2AL3MBTL1GRM2
SCHEMBL10498575 0.86 MEN1 (0.72) MEN1USP2KMT2AL3MBTL1KDM4E
SCHEMBL10498946 0.85 MEN1 (0.74) MEN1USP2KMT2AL3MBTL1GRM2
SCHEMBL9685827 0.84 SLC6A9 (0.54) MEN1USP2KMT2AL3MBTL1GRM2
SCHEMBL10498998 0.82 MEN1 (0.66) MEN1USP2KMT2AL3MBTL1KDM4E
SCHEMBL10499016 0.82 MEN1 (0.63) MEN1USP2KMT2AL3MBTL1GRM2
SCHEMBL10925730 0.82
Fumaric Acid SCHEMBL10498627 0.79 MEN1 (0.62) MEN1USP2KMT2AL3MBTL1GRM2
Fumaric Acid SCHEMBL10498622 0.79 MEN1 (0.62) MEN1USP2KMT2AL3MBTL1GRM2
SCHEMBL10498885 0.79 MEN1 (0.61) MEN1USP2KMT2AL3MBTL1GRM2

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-0123962-B1 BENZIMIDAZOLE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION KANEBO, LTD. (JP) 1989-12-27 EP disclosed
US-4603130-A ANTIHISTAMINES KANEBO, LTD. (JP) 1986-07-29 US disclosed
EP-0123962-A2 Benzimidazole derivative, process for the preparation thereof and pharmaceutical composition KANEBO, LTD. (JP) 1984-11-07 EP disclosed