SCHEMBL28779256

SCHEMBL28779256

Cc1cccc(NC(=O)N[C@@H](C)C(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.66
KDM4E B2RXH2 1/20 0.66
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
MAPT P10636 2/20 0.61
HSD17B10 Q99714 1/20 0.56
PKM P14618 1/20 0.55
TSHR P16473 1/20 0.55
SAE1 Q9UBE0 1/20 0.54
UBA2 Q9UBT2 1/20 0.54
RXFP1 Q9HBX9 1/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
HPGD P15428 1/20 0.51
EPHX2 P34913 1/20 0.51
KCNJ6 P48051 1/20 0.51
KCNJ5 P48544 1/20 0.51
KCNJ3 P48549 1/20 0.51
ALDH1A1 P00352 2/20 0.50

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
SCHEMBL29771178 1.00 SMN1; SMN2 (0.66) SMN1; SMN2KDM4EKMT2AMEN1MAPT
SCHEMBL27133210 1.00 SMN1; SMN2 (0.66) SMN1; SMN2KDM4EKMT2AMEN1MAPT
Benzene SCHEMBL11580794 0.87 KMT2A (0.64) SMN1; SMN2KMT2AMEN1MAPTHSD17B10
SCHEMBL2625550 0.85 KMT2A (0.62) SMN1; SMN2KMT2AMEN1MAPTHSD17B10
SCHEMBL20335091 0.85 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EKMT2AMEN1MAPT
SCHEMBL29776982 0.85 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EKMT2AMEN1MAPT
SCHEMBL20335086 0.85 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EKMT2AMEN1MAPT
SCHEMBL9471327 0.85 CSGALNACT1 (0.59) SMN1; SMN2KDM4EKMT2AMEN1MAPT
SCHEMBL9471335 0.85 CSGALNACT1 (0.59) SMN1; SMN2KDM4EKMT2AMEN1MAPT
SCHEMBL20335136 0.85 MAPK1 (0.60) KMT2AMEN1MAPT

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
CN-114761379-A Color-developing agent and heat-sensitive recording material 三菱化学株式会社 2022-07-15 CN disclosed