SCHEMBL24568614

SCHEMBL24568614

CC[C@@H](C)NC(=O)c1ccccc1C(F)F

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
ALDH1A1 P00352 3/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
ADRA1A P35348 1/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NAMPT P43490 2/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL11823698 0.86 MEN1 (0.83) MEN1KMT2AALDH1A1RAB9AKDM4E
SCHEMBL22924507 0.85 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL15204485 0.83 MEN1 (0.73) MEN1KMT2AALDH1A1RAB9AKDM4E
SCHEMBL24567583 0.82 MEN1 (0.45) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL24571814 0.82 MEN1 (0.45) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL21467394 0.82 MEN1 (0.71) MEN1KMT2AALDH1A1RAB9AKDM4E
SCHEMBL799662 0.81 KMT2A (0.75) MEN1KMT2AALDH1A1RAB9AKDM4E
SCHEMBL31445767 0.81 POLB (0.47) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL23689650 0.80 MEN1 (0.73) MEN1KMT2AALDH1A1RAB9AKDM4E
SCHEMBL18896250 0.79 MEN1 (0.71) MEN1KMT2AALDH1A1RAB9AKDM4E

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