SCHEMBL30342124

SCHEMBL30342124

COC(=O)c1ccc(Cl)c(Br)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
CYP1A2 P05177 2/20 0.45
GAA P10253 1/20 0.45
RECQL P46063 1/20 0.45
NOTUM Q6P988 3/20 0.44
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
NQO2 P16083 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGER4 P35408 1/20 0.38

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
SCHEMBL15972630 1.00 MAPT (0.45) MAPTCYP1A2GAARECQLNOTUM
SCHEMBL17144343 0.81 NOTUM (0.46) MAPTCYP1A2GAARECQLNOTUM
SCHEMBL30405765 0.81 NOTUM (0.46) MAPTCYP1A2GAARECQLNOTUM
SCHEMBL31185912 0.80 MAPT (0.46) MAPTCYP1A2GAARECQLMAPK1
SCHEMBL31177853 0.80 MAPT (0.46) MAPTCYP1A2GAARECQLMAPK1
SCHEMBL31661385 0.80 NOTUM (0.45) MAPTCYP1A2GAARECQLNOTUM
SCHEMBL18725355 0.80 SMN1; SMN2 (0.46) MAPTCYP1A2NOTUMMAPK1SMN1; SMN2
SCHEMBL18367820 0.80 MAPT (0.46) MAPTCYP1A2GAARECQLMAPK1
SCHEMBL544568 0.80 MAPT (0.46) MAPTCYP1A2GAARECQLMAPK1
SCHEMBL7107317 0.79 CTSA (0.47) MAPTCYP1A2GAARECQLMAPK1

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
EP-4168393-A1 2-OXOIMIDAZOLIDINE-4-CARBOXAMIDES AS NAV1.8 INHIBITORS Merck Sharp & Dohme LLC (US) 2023-04-26 EP disclosed