SCHEMBL28098502

SCHEMBL28098502

OCc1cc(-c2ccc(Cl)cc2)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.53
MAPT P10636 4/20 0.50
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
HTT P42858 1/20 0.50
ACP1 P24666 2/20 0.49
MAPK1 P28482 2/20 0.49
CTRC Q99895 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL1259674 0.88 ACHE (0.59) DHODHKDM4ESMN1; SMN2LMNAHPGD
SCHEMBL16098232 0.88 MAPK1 (0.54) DHODHKDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL16099161 0.85 ACACA (0.62) MAPTKDM4ESMN1; SMN2LMNANPC1
SCHEMBL28634603 0.84 DHODH (0.54) DHODHMAPTKDM4ESMN1; SMN2LMNA
SCHEMBL20414562 0.84 DHODH (0.49) DHODHKDM4ESMN1; SMN2LMNAHPGD
SCHEMBL28231738 0.84 CYP19A1 (0.58) DHODHKDM4ESMN1; SMN2LMNANPC1
SCHEMBL29399396 0.83 ACACA (0.65) DHODHMAPTKDM4ESMN1; SMN2LMNA
SCHEMBL19050396 0.83 ACACA (0.65) DHODHMAPTKDM4ESMN1; SMN2LMNA
SCHEMBL8956179 0.83 ACACA (0.65) DHODHMAPTKDM4ESMN1; SMN2LMNA
SCHEMBL10610835 0.82 SMN1; SMN2 (0.51) DHODHMAPTKDM4ESMN1; SMN2LMNA

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-105873588-A Compounds for the treatment of cancer and uses thereof 戈里奥诺瓦公司 2016-08-17 CN disclosed