SCHEMBL24378074

SCHEMBL24378074

CCOC(=O)c1c(Br)c(COc2ccc(N3CCN(SC)CC3)cc2)nn1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.39
KMT2A Q03164 7/20 0.38
MEN1 O00255 6/20 0.38
GAA P10253 5/20 0.38
LMNA P02545 4/20 0.38
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 4/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC2A1 P11166 1/20 0.36
MAPK1 P28482 1/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL19618968 0.87 MRGPRX4 (0.47) MAPTKMT2AMEN1GAALMNA
SCHEMBL19635143 0.87 MAPK13 (0.43) MAPTKMT2AMEN1GAALMNA
SCHEMBL19615237 0.86 KMT2A (0.46) MAPTKMT2AMEN1GAALMNA
Hydrochloric Acid SCHEMBL19615637 0.86 MCL1 (0.42) MAPTKMT2AMEN1GAALMNA
SCHEMBL19635767 0.84 SMN1; SMN2 (0.45) MAPTKMT2AMEN1GAALMNA
SCHEMBL19615199 0.84 MCL1 (0.41) MAPTKMT2AMEN1GAALMNA
SCHEMBL19635391 0.80 MAPT (0.34) MAPTKMT2AMEN1GAALMNA
SCHEMBL19635285 0.79 MAPT (0.43) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL28643152 0.77 NR1H2 (0.38) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL19635290 0.77 ALDH1A1 (0.41) MAPTKMT2AMEN1GAALMNA

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
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed