SCHEMBL28255358

SCHEMBL28255358

C(=Cc1ccco1)c1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.61
NPC1 O15118 8/20 0.61
MEN1 O00255 7/20 0.61
RAB9A P51151 7/20 0.61
ATM Q13315 1/20 0.61
GRM4 Q14833 2/20 0.60
KDM4E B2RXH2 6/20 0.56
MAPT P10636 5/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
POLB P06746 4/20 0.56
RECQL P46063 3/20 0.56
BLM P54132 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
MCL1 Q07820 2/20 0.56
ALDH1A1 P00352 5/20 0.51
HTT P42858 2/20 0.51
CTDSP1 Q9GZU7 2/20 0.51
PKM P14618 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL29000592 1.00 KMT2A (0.61) KMT2ANPC1MEN1RAB9AATM
SCHEMBL710510 0.89 KMT2A (0.52) KMT2ANPC1MEN1RAB9AATM
SCHEMBL710511 0.89 KMT2A (0.52) KMT2ANPC1MEN1RAB9AATM
SCHEMBL708568 0.87 KMT2A (0.51) KMT2ANPC1MEN1RAB9AATM
SCHEMBL708569 0.87 KMT2A (0.51) KMT2ANPC1MEN1RAB9AATM
SCHEMBL11433823 0.81 HCAR2 (0.71) KMT2ANPC1MEN1RAB9AKDM4E
SCHEMBL11433821 0.81 HCAR2 (0.71) KMT2ANPC1MEN1RAB9AKDM4E
SCHEMBL27559254 0.80 KMT2A (0.45) KMT2ANPC1MEN1RAB9AATM
SCHEMBL15870919 0.80 GRM4 (0.54) KMT2ANPC1MEN1RAB9AGRM4
SCHEMBL11433827 0.78 POLB (0.56) KMT2ANPC1MEN1RAB9AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108950645-B Aluminum and aluminum alloy anodic oxidation nickel-free sealing agent 上海铝通化学科技有限公司 2020-10-23 CN disclosed
CN-108950645-A A kind of aluminium and aluminium alloy anode oxide are without nickel sealer 上海铝通化学科技有限公司 2018-12-07 CN disclosed