SCHEMBL20195668

SCHEMBL20195668

COc1cccc(C(=O)Cl)c1COc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.44
NPC1 O15118 7/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 2/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.42
CTSD P07339 1/20 0.41
PKM P14618 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP2C19 P33261 2/20 0.39
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GABRA5 P31644 1/20 0.39
HTR1A P08908 1/20 0.38
ADRA1D P25100 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
SCHEMBL20195529 0.88 HTT (0.46) RAB9ANPC1KMT2ATP53MEN1
SCHEMBL20195626 0.84 GABRA5 (0.42) RAB9ANPC1KMT2AMEN1CTSD
SCHEMBL20195614 0.83 GRM5 (0.40) RAB9ANPC1KMT2ASMN1; SMN2MAPK1
SCHEMBL20195587 0.82 P2RX7 (0.43) RAB9ANPC1KMT2ATP53MEN1
SCHEMBL20845023 0.79 NPC1 (0.38) RAB9ANPC1KMT2ATP53MEN1
SCHEMBL18504485 0.79 CTSD (0.36) RAB9ANPC1SMN1; SMN2CTSDATP4A
SCHEMBL22564338 0.78 CTSD (0.35) RAB9ANPC1SMN1; SMN2CTSDATP4A
SCHEMBL20195609 0.77 MEN1 (0.51) KMT2AMEN1MAPK1ALDH1A1HSD17B10
SCHEMBL20195648 0.77 ALDH1A1 (0.44) RAB9ANPC1KMT2AMAPK1ALDH1A1
SCHEMBL20195642 0.74 ALDH1A1 (0.51) RAB9ANPC1KMT2AMEN1SMN1; SMN2

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-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed