SCHEMBL31461675

SCHEMBL31461675

O=C(NCc1nc2c3ccccc3[nH]c(=S)n2n1)c1ccccc1OC(F)F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 5/20 0.37
POLB P06746 3/20 0.37
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HTT P42858 3/20 0.36
SLC40A1 Q9NP59 1/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALPL P05186 1/20 0.35
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34

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
SCHEMBL31461742 0.92 RAB9A (0.38) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL31461655 0.88 HPGD (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL31461654 0.82 SMN1; SMN2 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL31461687 0.78 HPGD (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL26601373 0.78 NPC1 (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC3
SCHEMBL31461688 0.78 PDE10A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL31461691 0.78 PDE10A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL31461728 0.78 SMN1; SMN2 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC3
SCHEMBL31461695 0.75 TP53 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC1
SCHEMBL31676173 0.74 NPC1 (0.36) RAB9ANPC1ALDH1A1POLBHDAC3

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