SCHEMBL24568261

SCHEMBL24568261

CC[C@@H](C)NC(=O)c1cccn(C)c1=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
SMN1; SMN2 Q16637 2/20 0.50
ATM Q13315 1/20 0.47
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
ADRA1A P35348 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
HTT P42858 2/20 0.43
KDM4E B2RXH2 2/20 0.43
RCE1 Q9Y256 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL12848314 0.84 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1RAB9AMAPTADRA1A
SCHEMBL24567555 0.82 MAP3K5 (0.41) MEN1KMT2AALDH1A1RAB9AKDM4E
SCHEMBL11823698 0.79 MEN1 (0.83) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL13368482 0.78 BRD4 (0.61) KMT2ARAB9AADRA1ATSHRHTT
SCHEMBL31186009 0.78 GRN (0.48)
SCHEMBL31186139 0.76 CNR1 (0.49)
SCHEMBL799662 0.74 KMT2A (0.75) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL2280624 0.73 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1RAB9AMAPTPOLB
SCHEMBL23689650 0.73 MEN1 (0.73) MEN1KMT2AALDH1A1RAB9AMAPT
SCHEMBL15204485 0.73 MEN1 (0.73) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A

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
WO-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed