SCHEMBL29587261

SCHEMBL29587261

Nc1ccc(-c2ccc(Nc3cc(=O)n(O)c4ncccc34)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
MAPK14 Q16539 1/20 0.40
DNMT1 P26358 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
TP53 P04637 1/20 0.36
APP P05067 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
SNCA P37840 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL3516411 0.90 ALK (0.41) AURKAMAPK14MMP2FEN1
SCHEMBL3518140 0.85 FEN1 (0.44) AURKAMAPK14KDM4ETP53MAPT
SCHEMBL3514751 0.81 SIRT2 (0.45) MAPK14FEN1HDAC6
SCHEMBL3515039 0.76 FABP3 (0.43) AURKAKDM4EALOX15HSD17B10FEN1
SCHEMBL18136095 0.75 FEN1 (0.47) KDM4EHPGDFEN1
SCHEMBL3514404 0.74 CYP3A4 (0.38) KDM4EL3MBTL1FEN1
SCHEMBL3516135 0.73 FEN1 (0.46) KDM4EMAPTHPGDBLMFEN1
SCHEMBL3514825 0.73 IDH1 (0.41) FEN1
SCHEMBL3519112 0.72 MEN1 (0.54) TP53HPGDALOX15FEN1
SCHEMBL2020155 0.70 ABCG2 (0.49) TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368637-A1 METHODS AND MICROORGANISMS FOR MAKING 1,4-BUTANEDIOL AND DERIVATIVES THEREOF FROM C1 CARBONS PRECIGEN, INC. (US) 2024-11-07 US disclosed
US-12018310-B2 Methods and microorganisms for making 1,4-butanediol and derivatives thereof from C1 carbons PRECIGEN, INC. (US) 2024-06-25 US disclosed
US-20220064677-A1 METHODS AND MICROORGANISMS FOR MAKING 1,4-BUTANEDIOL AND DERIVATIVES THEREOF FROM C1 CARBONS PRECIGEN, INC. (US) 2022-03-03 US disclosed