SCHEMBL29947784

SCHEMBL29947784

Nc1cccc(Oc2ccccn2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.58
MAP4K4 O95819 1/20 0.51
TLR4 O00206 1/20 0.50
TLR2 O60603 1/20 0.50
GRM5 P41594 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
BRCA1 P38398 1/20 0.47
HBB P68871 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
CYP3A4 P08684 2/20 0.46
TP53 P04637 1/20 0.46
LOXL2 Q9Y4K0 2/20 0.42
LOX P28300 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
SCHEMBL60734 1.00 MAOB (0.58) MAOBMAP4K4TLR4TLR2GRM5
SCHEMBL12129555 0.87 TLR4 (0.56) MAP4K4TLR4TLR2GRM5ALDH1A1
SCHEMBL29612417 0.87 TLR4 (0.56) MAP4K4TLR4TLR2GRM5ALDH1A1
SCHEMBL15602369 0.85 TLR4 (0.55) MAP4K4TLR4TLR2GRM5ALDH1A1
SCHEMBL5109000 0.81 MAP4K4 (0.57) MAP4K4TLR4TLR2GRM5ALDH1A1
SCHEMBL31696915 0.81 MAOB (0.67) MAOBMAP4K4ALDH1A1KDM4EMEN1
SCHEMBL29492481 0.81 MAOB (0.67) MAOBMAP4K4ALDH1A1KDM4EMEN1
SCHEMBL202664 0.81 MAOB (0.67) MAOBMAP4K4ALDH1A1KDM4EMEN1
SCHEMBL24270242 0.79 MAOB (0.59) MAOBMAP4K4ALDH1A1KDM4EMEN1
SCHEMBL2717081 0.79 MEN1 (0.62) MAOBTLR4TLR2ALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118878514-A Heterocyclic compounds for modulating NR2F6 TES制药有限责任公司 2024-11-01 CN disclosed
EP-4313047-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS Monte Rosa Therapeutics, Inc. (US) 2024-02-07 EP disclosed
CN-115427394-A Heterocyclic compounds for modulating NR2F6 TES制药有限责任公司 2022-12-02 CN disclosed
WO-2022200857-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2022-09-29 WO disclosed