SCHEMBL30162793

SCHEMBL30162793

O=C(O)C1=C(c2ccccc2)NC=CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PYGM P11217 1/20 0.55
DHODH Q02127 3/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.32
PIN1 Q13526 2/20 0.32
TP53 P04637 1/20 0.32
KMO O15229 1/20 0.32
ALDH1A1 P00352 2/20 0.32
DAO P14920 1/20 0.31
TSHR P16473 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL4950740 0.71 PYGM (1.00) PYGM
SCHEMBL4696617 0.69 PYGM (0.62) PYGM
SCHEMBL28954912 0.68 ERBB2 (0.33) KDM4EALDH1A1TSHR
SCHEMBL7430507 0.65 PYGM (0.42) PYGM
SCHEMBL890639 0.63 PYGM (0.52) PYGMTP53ALDH1A1DAOTSHR
SCHEMBL8905393 0.62 CFTR (0.50) DHODHKDM4EKMOALDH1A1DAO
SCHEMBL10384372 0.60 SLC6A2 (0.50) DHODHKMOALDH1A1DAOTSHR
SCHEMBL1751676 0.58 SLC6A3 (0.65) DHODH
SCHEMBL1751726 0.58 SLC6A3 (0.60) DHODH
SCHEMBL4350863 0.58 SLC6A3 (0.65) DHODH

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-2024037910-A1 SYK INHIBITORS FOR USE IN THE TREATMENT OF CANCER Institut National de la Santé et de la Recherche Médicale (FR) 2024-02-22 WO disclosed