SCHEMBL23616663

SCHEMBL23616663

CCNc1ccsc1CC(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK8 P45983 4/20 0.37
MAPK10 P53779 4/20 0.37
MAPK9 P45984 3/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
TP53 P04637 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.35
CASP3 P42574 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
SCHEMBL23616662 0.79 KMT2A (0.37) KMT2AMEN1CYP1A2MAPK8MAPK10
SCHEMBL8060939 0.78 KMT2A (0.41) KMT2AMEN1CYP1A2RAB9ANPC1
SCHEMBL14389813 0.77 CYP4F2 (0.40) KMT2AMEN1CYP1A2RAB9ANPC1
SCHEMBL8145953 0.76 ALDH1A1 (0.44) KMT2AMEN1CYP1A2RAB9ANPC1
SCHEMBL1295475 0.76 ALOX5 (0.47) KMT2AMEN1CYP1A2RAB9ANPC1
SCHEMBL5196465 0.76 MAPK8 (0.31) MAPK8MAPK10MAPK9PKMABCC1
SCHEMBL13225707 0.75 NPC1 (0.42) KMT2AMEN1CYP1A2RAB9ANPC1
SCHEMBL20561794 0.75 KMT2A (0.41) KMT2AMEN1CYP1A2RAB9ANPC1
SCHEMBL9925396 0.75 KMT2A (0.41) KMT2AMEN1CYP1A2RAB9ANPC1
SCHEMBL9925412 0.75 ALDH1A1 (0.46) KMT2AMEN1CYP1A2RAB9ANPC1

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-3687506-B1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2021-07-07 EP disclosed