SCHEMBL12017348

SCHEMBL12017348

COC(=O)NCCc1cn(O)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RAB9A P51151 1/20 0.46
MTNR1A P48039 7/20 0.45
KDM4E B2RXH2 1/20 0.44
MTNR1B P49286 7/20 0.43
ALDH1A1 P00352 1/20 0.41
TP53 P04637 3/20 0.41
MAPT P10636 1/20 0.41
NQO2 P16083 1/20 0.41
HTR6 P50406 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SPR P35270 1/20 0.40

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
SCHEMBL21614239 0.86 KDM4E (0.60) MEN1KMT2ARAB9AMTNR1AKDM4E
SCHEMBL3667836 0.86 MEN1 (0.52) MEN1KMT2AMTNR1AMTNR1BNQO2
SCHEMBL29169605 0.81 L3MBTL1 (0.58) MEN1KMT2ARAB9AMTNR1AMTNR1B
SCHEMBL9057781 0.80 CNR1 (0.48) MEN1KMT2ARAB9AKDM4ETP53
SCHEMBL1064566 0.79 MTNR1A (0.58) MEN1KMT2ARAB9AMTNR1AKDM4E
SCHEMBL1064300 0.78 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL6450630 0.77 MTNR1A (0.50) MEN1KMT2ARAB9AMTNR1AMTNR1B
SCHEMBL1067699 0.77 MTNR1A (0.60) MEN1KMT2AMTNR1A
SCHEMBL1068332 0.77 MTNR1A (0.60) MEN1KMT2AMTNR1A
SCHEMBL14550631 0.76 KMT2A (0.53) MEN1KMT2ARAB9AMTNR1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258174-B2 Method of inhibiting apoptosis Somei, Masanori (JP) 2012-09-04 US claimed
US-8258174-B2 Method of inhibiting apoptosis Somei, Masanori (JP) 2012-09-04 US disclosed