SCHEMBL22109693

SCHEMBL22109693

CC1C=C(c2nc3ccc(Br)cc3nc2-c2ccccc2)C=CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PRNP P04156 1/20 0.41
ATM Q13315 2/20 0.40
KMT2A Q03164 1/20 0.40
TLR9 Q9NR96 1/20 0.40
MAPT P10636 5/20 0.39
HPGD P15428 4/20 0.39
LMNA P02545 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
PAX8 Q06710 1/20 0.38
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARG P37231 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL3317867 0.77 KMT2A (0.61) ALDH1A1KDM4EL3MBTL1PRNPATM
SCHEMBL24381707 0.73 NPC1 (0.40) ALDH1A1L3MBTL1KMT2AMAPTHPGD
SCHEMBL29406607 0.70 ALDH1A1 (0.57) ALDH1A1KDM4EL3MBTL1PRNPATM
SCHEMBL29407052 0.70 ALDH1A1 (0.57) ALDH1A1KDM4EL3MBTL1PRNPATM
SCHEMBL12317104 0.67 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1PRNPATM
SCHEMBL14143761 0.67 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1ATMKMT2A
SCHEMBL21673327 0.65 ALDH1A1 (0.66) ALDH1A1KDM4EL3MBTL1ATMKMT2A
SCHEMBL22237922 0.65 TLR8 (0.35) ALDH1A1KDM4EKMT2AMAPTHPGD
SCHEMBL650086 0.64 L3MBTL1 (0.64) ALDH1A1KDM4EL3MBTL1PRNPATM
SCHEMBL30476324 0.64 L3MBTL1 (0.64) ALDH1A1KDM4EL3MBTL1PRNPATM

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
WO-2020122461-A1 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC APPARATUS THEREOF 덕산네오룩스 주식회사 2020-06-18 WO disclosed