SCHEMBL27193333

SCHEMBL27193333

CCc1c(C(=O)ON2C(=O)CCC2=O)ccc(C)c1Sc1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.35
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 2/20 0.33
EYA2 O00167 2/20 0.32
MAPK10 P53779 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL278283 0.88 TSHR (0.36) LMNAPOLBKMT2ASMN1; SMN2MEN1
SCHEMBL73690 0.81 EHMT2 (0.37) LMNAPOLBKMT2ASMN1; SMN2MEN1
SCHEMBL1374041 0.78 GCK (0.39) LMNAPOLBKMT2AMEN1RAB9A
SCHEMBL30392206 0.77 MEN1 (0.41) LMNAPOLBKMT2AMEN1TSHR
SCHEMBL28384909 0.77 MEN1 (0.41) LMNAPOLBKMT2AMEN1TSHR
SCHEMBL278282 0.76 GCK (0.39) LMNAKMT2AMEN1TSHRALDH1A1
SCHEMBL5502675 0.76 LMNA (0.36) LMNAPOLBKMT2ASMN1; SMN2MEN1
SCHEMBL4070360 0.73 LMNA (0.35) LMNAPOLBKMT2ASMN1; SMN2MEN1
SCHEMBL278281 0.72 LMNA (0.39) LMNAPOLBKMT2ASMN1; SMN2MEN1
SCHEMBL4405681 0.71 GCK (0.40) LMNAPOLBKMT2ASMN1; SMN2MEN1

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
US-20240115686-A1 SHIGELLA MULTI-EPITOPE FUSION ANTIGEN PROTEINS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2024-04-11 US disclosed