SCHEMBL31461688

SCHEMBL31461688

CSc1nc2ccccc2c2nc(CNC(=O)c3ccccc3OC(F)F)nn12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
POLB P06746 7/20 0.40
TP53 P04637 4/20 0.38
GLA P06280 1/20 0.38
LMNA P02545 4/20 0.38
MAPT P10636 4/20 0.38
THRB P10828 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL31461691 1.00 PDE10A (0.44) PDE10ASMN1; SMN2HPGDNPC1RAB9A
SCHEMBL31461687 0.86 HPGD (0.43) PDE10ASMN1; SMN2HPGDNPC1RAB9A
SCHEMBL31461728 0.86 SMN1; SMN2 (0.43) PDE10ASMN1; SMN2HPGDNPC1RAB9A
SCHEMBL31461695 0.81 TP53 (0.41) SMN1; SMN2HPGDNPC1RAB9ATP53
SCHEMBL31461675 0.78 RAB9A (0.46) SMN1; SMN2HPGDNPC1RAB9APOLB
SCHEMBL31461652 0.75 KDM4E (0.49) HPGDTP53GLALMNAMAPT
SCHEMBL31461702 0.71 ALDH1A1 (0.41) HPGDRAB9ATP53GLALMNA
SCHEMBL26629775 0.71 ALDH1A1 (0.41) HPGDRAB9ATP53GLALMNA
SCHEMBL31461697 0.71 ALDH1A1 (0.41) HPGDRAB9ATP53GLALMNA
SCHEMBL31461742 0.71 RAB9A (0.38) SMN1; SMN2NPC1RAB9APOLBALDH1A1

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