SCHEMBL31461694

SCHEMBL31461694

O=C(NCc1nc2cnc3ccccc3c2o1)c1ccccc1OC(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 3/20 0.39
ESR1 P03372 1/20 0.39
MAPK10 P53779 1/20 0.39
KMT2A Q03164 1/20 0.39
ELANE P08246 1/20 0.39
NSD2 O96028 1/20 0.39
SGMS2 Q8NHU3 1/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 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
SCHEMBL31461704 0.78 RAB9A (0.44) RAB9ASMN1; SMN2NPC1MAPTNSD2
SCHEMBL31461659 0.73 ELANE (0.46) RAB9ANPC1KMT2AELANE
SCHEMBL26601318 0.69 HDAC3 (0.44) RAB9ASMN1; SMN2NPC1KMT2ALMNA
SCHEMBL11823531 0.67 ELANE (0.40) SMN1; SMN2KMT2AELANEALDH1A1KDM4E
SCHEMBL31461687 0.66 HPGD (0.43) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL31461691 0.66 PDE10A (0.44) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL31461688 0.66 PDE10A (0.44) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL31461728 0.66 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2NPC1MAPTKMT2A
SCHEMBL5765002 0.65 ELANE (0.42) ELANEALDH1A1KDM4E
SCHEMBL31461674 0.65 HDAC3 (0.53) RAB9ASMN1; SMN2NPC1MAPTKMT2A

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