SCHEMBL20042719

SCHEMBL20042719

O=C(c1ccc(Cl)cc1)N1Cc2nc(C3CC3)nc(N3CCC3)c2C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
KMT2A Q03164 4/20 0.41
MGLL Q99685 3/20 0.41
PDE10A Q9Y233 2/20 0.41
MAPT P10636 1/20 0.41
PROKR1 Q8TCW9 2/20 0.40
GLA P06280 1/20 0.40
NTSR1 P30989 1/20 0.39
GBA1 P04062 1/20 0.39
MEN1 O00255 2/20 0.39
HSD11B1 P28845 1/20 0.39
GPR6 P46095 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL20042795 0.89 HPGD (0.46) PDE10ANTSR1HSD11B1GPR6
SCHEMBL20042722 0.88 ALDH1A1 (0.43) KMT2AMGLLNTSR1MEN1HSD11B1
SCHEMBL20042687 0.85 HSD17B10 (0.51) HSD17B10KMT2AMGLLMAPTGBA1
SCHEMBL20042725 0.85 PDE2A (0.41) MGLLPDE10APROKR1NTSR1
SCHEMBL20042811 0.84 HSD17B10 (0.60) HSD17B10KMT2AGBA1MEN1POLB
SCHEMBL20042751 0.83 HSD17B10 (0.49) HSD17B10KMT2AMGLLGBA1MEN1
SCHEMBL20042824 0.81 PROKR1 (0.40) HSD17B10KMT2AMGLLPDE10AMAPT
SCHEMBL20042711 0.81 HSD17B10 (0.50) HSD17B10KMT2AMAPTGBA1MEN1
SCHEMBL20042740 0.80 HSD17B10 (0.49) HSD17B10KMT2AMAPTGBA1MEN1
SCHEMBL20042827 0.80 HSD17B10 (0.46) HSD17B10KMT2AMGLLGBA1MEN1

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
WO-2018066718-A1 THERAPEUTIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-12 WO disclosed