SCHEMBL24568599

SCHEMBL24568599

CCC[C@@H](C)NC(=O)CCN1C(=O)NC(C)(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
POLB P06746 2/20 0.42
FPR2 P25090 1/20 0.40
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PADI4 Q9UM07 1/20 0.37

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
SCHEMBL24568199 0.83 KMT2A (0.46) KMT2APOLBFPR2APOBEC3AAPOBEC3G
SCHEMBL4408729 0.77 KMT2A (0.51) KMT2APOLBFPR2APOBEC3AAPOBEC3G
SCHEMBL11967051 0.73 KMT2A (0.54) KMT2APOLBFPR2MEN1LMNA
SCHEMBL16256882 0.73 KMT2A (0.58) KMT2APOLBFPR2MEN1LMNA
SCHEMBL8165986 0.73 KMT2A (0.68) KMT2APOLBMEN1LMNATSHR
SCHEMBL8161187 0.72 APOBEC3A (0.43) KMT2APOLBFPR2APOBEC3AAPOBEC3G
SCHEMBL13753309 0.72 POLB (0.65) KMT2APOLBMEN1LMNATSHR
SCHEMBL14493755 0.70 POLB (0.43) KMT2APOLBMEN1LMNAALDH1A1
SCHEMBL11677768 0.70 POLB (0.74) KMT2APOLBMEN1LMNATSHR
SCHEMBL11955141 0.69 POLB (0.56) KMT2APOLBFPR2MEN1LMNA

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