SCHEMBL20684697

SCHEMBL20684697

CN(C)c1cccc(-c2ccccc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.55
USP2 O75604 1/20 0.55
TP53 P04637 1/20 0.55
PKM P14618 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ASIC3 Q9UHC3 1/20 0.50
CNR1 P21554 1/20 0.48
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HTR7 P34969 1/20 0.47
CKS1B P61024 1/20 0.47
SKP1 P63208 1/20 0.47
SKP2 Q13309 1/20 0.47
DYRK1A Q13627 1/20 0.44
NCF1 P14598 1/20 0.44
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL20684698 0.84 MEN1 (0.56) MEN1KMT2ARAB9ANPC1USP2
SCHEMBL12632064 0.80 KDR (0.43) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL19272769 0.80 MEN1 (0.50) MEN1KMT2ARAB9ANPC1USP2
SCHEMBL18552370 0.79 MEN1 (0.60) MEN1KMT2ARAB9ANPC1USP2
SCHEMBL28853192 0.78 TRPV3 (0.45)
SCHEMBL5115896 0.78 MEN1 (0.58) MEN1KMT2ARAB9ANPC1USP2
SCHEMBL23110924 0.77 HDAC6 (0.44) TP53SMN1; SMN2CNR1
SCHEMBL58442 0.77 MEN1 (1.00) MEN1KMT2ARAB9ATP53SMN1; SMN2
SCHEMBL4271497 0.77 NCF1 (0.52) MEN1KMT2ARAB9ANPC1USP2
SCHEMBL29125638 0.76 KDM4E (0.63) RAB9ANPC1TP53PKMSMN1; 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-3133078-B1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2019-01-30 EP disclosed