SCHEMBL31461654

SCHEMBL31461654

O=C(NCc1cc2c3ccccc3[nH]c(=S)n2n1)c1ccccc1OC(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 5/20 0.37
POLB P06746 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL26601315 0.87 BRAF (0.40) ALDH1A1POLBADORA3KDM4EMEN1
SCHEMBL31461675 0.82 RAB9A (0.46) SMN1; SMN2NPC1RAB9AALDH1A1POLB
SCHEMBL31461671 0.77 ADORA3 (0.48) ADORA3KDM4EMEN1KMT2A
SCHEMBL31461742 0.77 RAB9A (0.38) SMN1; SMN2NPC1RAB9AALDH1A1POLB
SCHEMBL31461716 0.76 SLC6A9 (0.39)
SCHEMBL11387752 0.71 ALDH1A1 (0.44) ALDH1A1ADORA3KDM4EMEN1KMT2A
SCHEMBL11406627 0.70 ADORA3 (0.47) SMN1; SMN2ALDH1A1ADORA3HTTLMNA
SCHEMBL31461655 0.69 HPGD (0.48) SMN1; SMN2NPC1RAB9AALDH1A1POLB
SCHEMBL26601373 0.69 NPC1 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL31461720 0.69 HCN1 (0.41) SMN1; SMN2ALDH1A1POLBKDM4EHTT

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