SCHEMBL29242587

SCHEMBL29242587

NNC(=O)C1=C(C(=O)O)CSC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.53
NR4A2 P43354 1/20 0.36
GAA P10253 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
GFER P55789 2/20 0.32
LMNA P02545 1/20 0.31
P2RX7 Q99572 1/20 0.30
MPO P05164 1/20 0.30
KDM5A P29375 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
HIF1A Q16665 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL27224410 0.91 DHODH (0.42) DHODHGAAALDH1A1MEN1KMT2A
SCHEMBL17848807 0.81 DHODH (0.47) DHODHNR4A2
SCHEMBL13743093 0.70 DHODH (0.41) DHODHNR4A2CYP1A2
SCHEMBL1568450 0.68 DHODH (0.40) DHODHNR4A2MAPTKDM4E
SCHEMBL11462679 0.67
SCHEMBL14439039 0.61 ALDH1A1 (0.40) DHODHGAAALDH1A1MEN1KMT2A
SCHEMBL31618472 0.61 DHODH (0.34) DHODH
SCHEMBL28723694 0.61 KDM4E (0.42) GAAALDH1A1MEN1KMT2ACYP3A4
SCHEMBL28723691 0.58 KDM4E (0.44) GAAALDH1A1MEN1KMT2ACYP3A4
Cyclopropane SCHEMBL9379772 0.58

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
CN-118234711-A Cyclopyridazine compounds 尼科治疗有限公司 2024-06-21 CN disclosed