SCHEMBL22419035

SCHEMBL22419035

CC1(C)c2ccc(Br)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 4/20 0.41
NR1H2 P55055 3/20 0.40
NR1H3 Q13133 3/20 0.40
NR1H4 Q96RI1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
NTSR1 P30989 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
DGAT1 O75907 1/20 0.38
ABCG2 Q9UNQ0 3/20 0.37
ABCB1 P08183 2/20 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
SCHEMBL22913463 0.92 NR1H4 (0.41) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL23196919 0.89 NPC1 (0.42) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL19295126 0.88 NPC1 (0.38) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL26937588 0.88 MEN1 (0.46) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL20230737 0.87 MEN1 (0.42) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL22986990 0.86 MEN1 (0.45) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL20805736 0.86 MEN1 (0.45) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL16716618 0.86 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL16716622 0.86 MEN1 (0.47) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL21871757 0.86 MEN1 (0.40) NPC1RAB9ATSHRMEN1KMT2A

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-2020184906-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 두산솔루스 주식회사 2020-09-17 WO disclosed