SCHEMBL9013756

SCHEMBL9013756

CC(=O)N(c1ccccc1)c1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
TSHR P16473 2/20 0.49
NPSR1 Q6W5P4 3/20 0.47
APAF1 O14727 2/20 0.46
TDP2 O95551 1/20 0.46
NSD2 O96028 1/20 0.46
CASP3 P42574 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
NPC1 O15118 2/20 0.44
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41

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
SCHEMBL741752 0.84 NPSR1 (0.64) KMT2AMEN1TSHRNPSR1APAF1
Hydrochloric Acid SCHEMBL8550497 0.82 NPSR1 (0.61) KMT2AMEN1TSHRNPSR1APAF1
SCHEMBL8044893 0.82 NPSR1 (0.61) KMT2AMEN1TSHRNPSR1APAF1
SCHEMBL5603988 0.79 TSPO (0.56) KMT2AMEN1TSHRNPSR1APAF1
SCHEMBL1927467 0.77 NPSR1 (0.62) KMT2AMEN1TSHRNPSR1APAF1
SCHEMBL17060020 0.76 TSHR (0.48) KMT2AMEN1TSHRNPSR1NSD2
SCHEMBL1471487 0.76 NPSR1 (0.54) KMT2AMEN1TSHRNPSR1APAF1
SCHEMBL28421740 0.76 TSHR (0.52) KMT2AMEN1TSHRNPSR1DAO
SCHEMBL1948081 0.76 MAPT (0.48) KMT2AMEN1TSHRNPSR1APAF1
SCHEMBL28619515 0.75 KMT2A (0.54) KMT2AMEN1TSHRNPSR1APAF1

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-0745673-A2 Catalytic antibody regulated prodrug therapy ZENECA LIMITED (GB) 1996-12-04 EP disclosed