SCHEMBL25588356

SCHEMBL25588356

Cc1cccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5cccc(F)c5)ccc5ccc2c3c54)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
PTGIR P43119 1/20 0.34
RAB9A P51151 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
CYP3A4 P08684 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
TSHR P16473 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
RECQL P46063 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32

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
SCHEMBL1702512 0.92 SIGMAR1 (0.38) ACHESIGMAR1RAB9ATHRBPKM
SCHEMBL15137930 0.92 ABCG2 (0.38) ACHEABCG2RAB9APTGDR2THRB
SCHEMBL25069433 0.92 SIGMAR1 (0.38) ACHESIGMAR1RAB9ATHRBPKM
SCHEMBL2700479 0.89 ALDH1A1 (0.42) ACHESIGMAR1RAB9ATHRBPKM
SCHEMBL21388729 0.88 ABCG2 (0.36) ACHEABCG2PTGIRRAB9APTGDR2
SCHEMBL1644520 0.87 TDP1 (0.40) ACHESIGMAR1RAB9ATHRBCYP3A4
SCHEMBL29555384 0.87 TDP1 (0.40) ACHESIGMAR1RAB9ATHRBCYP3A4
SCHEMBL19566266 0.85 CYP1A2 (0.41) ACHESIGMAR1THRBPKMCYP3A4
SCHEMBL12575984 0.85 ACHE (0.37) ACHEABCG2RAB9AALDH1A1HPGD
SCHEMBL13321052 0.85 TDP1 (0.36) ACHESIGMAR1RAB9ATHRBPKM

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
US-20230180604-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING AN ELECTRON BUFFER LAYER AND AN ELECTRON TRANSPORT LAYER DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2023-06-08 US disclosed