SCHEMBL20042811

SCHEMBL20042811

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.60
GBA1 P04062 6/20 0.50
HSP90AB1 P08238 1/20 0.46
SLC6A7 Q99884 2/20 0.44
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
PHGDH O43175 1/20 0.41
AKR1C3 P42330 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL20042687 0.89 HSD17B10 (0.51) HSD17B10GBA1HSP90AB1SLC6A7KMT2A
SCHEMBL20042751 0.87 HSD17B10 (0.49) HSD17B10GBA1KMT2AALDH1A1HPGD
SCHEMBL20042711 0.85 HSD17B10 (0.50) HSD17B10GBA1SLC6A7KMT2AALDH1A1
SCHEMBL20042740 0.84 HSD17B10 (0.49) HSD17B10GBA1SLC6A7KMT2AALDH1A1
SCHEMBL20042827 0.84 HSD17B10 (0.46) HSD17B10GBA1KMT2AALDH1A1HPGD
SCHEMBL20042719 0.84 HSD17B10 (0.46) HSD17B10GBA1KMT2APOLBMEN1
SCHEMBL20042812 0.84 HSD17B10 (0.46) HSD17B10GBA1HSP90AB1SLC6A7KMT2A
SCHEMBL20042715 0.82 HSD17B10 (0.45) HSD17B10GBA1KMT2AALDH1A1HPGD
SCHEMBL20042810 0.82 HSD17B10 (0.46) HSD17B10GBA1KMT2AALDH1A1HPGD
SCHEMBL20042980 0.82 LSS (0.50) HSD17B10GBA1KMT2AALDH1A1POLB

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