SCHEMBL31461655

SCHEMBL31461655

COc1ccccc1C(=O)NCc1nc2c3ccccc3[nH]c(=S)n2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.48
TP53 P04637 2/20 0.48
GLA P06280 1/20 0.48
POLB P06746 2/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.44
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
NOD2 Q9HC29 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
PAX8 Q06710 2/20 0.43
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PRNP P04156 1/20 0.42
GAA P10253 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
SCHEMBL31461675 0.88 RAB9A (0.46) HPGDTP53GLAPOLBALDH1A1
SCHEMBL31461742 0.81 RAB9A (0.38) POLBALDH1A1KDM4ERAB9ANPC1
SCHEMBL31461687 0.71 HPGD (0.43) HPGDTP53GLAPOLBALDH1A1
SCHEMBL31461654 0.69 SMN1; SMN2 (0.43) POLBALDH1A1MAPTLMNAKDM4E
SCHEMBL31461652 0.69 KDM4E (0.49) HPGDTP53GLAALDH1A1MAPT
SCHEMBL27604453 0.67 HPGD (1.00) HPGDTP53GLAPOLBALDH1A1
SCHEMBL31461728 0.67 SMN1; SMN2 (0.43) HPGDTP53GLAALDH1A1MAPT
SCHEMBL31461691 0.67 PDE10A (0.44) HPGDTP53GLAPOLBALDH1A1
SCHEMBL31461688 0.67 PDE10A (0.44) HPGDTP53GLAPOLBALDH1A1
SCHEMBL15686112 0.65 HPGD (0.83) HPGDTP53GLAPOLBALDH1A1

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-2025024543-A1 TRICYCLIC UBE2K MODULATORS AND METHODS FOR THEIR USE BPGBIO, INC. (US) 2025-01-30 WO disclosed