SCHEMBL22970179

SCHEMBL22970179

C1=CC(c2ccccc2)Nc2c1ccc1c2NC(c2ccc(-c3ccc4ccc(-c5ccc6ccc(-c7ccc(-c8ccccc8)cc7)cc6n5)cc4n3)cc2)C=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
IGF1R P08069 7/20 0.33
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
AR P10275 2/20 0.33
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
CYP3A4 P08684 4/20 0.32
GMNN O75496 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
THPO P40225 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 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
SCHEMBL22970547 0.85 DHODH (0.31) IGF1RCYP3A4
SCHEMBL22970292 0.85 IGF1R (0.31) IGF1RNPC1RAB9AMEN1KMT2A
SCHEMBL22970590 0.85
SCHEMBL22970424 0.84 IGF1R (0.32) KDM4EMAPTIGF1RNPC1RAB9A
SCHEMBL22970418 0.83
SCHEMBL22970178 0.82
SCHEMBL22970237 0.81 MEN1 (0.33) KDM4EMAPTIGF1RNPC1RAB9A
SCHEMBL23954437 0.80 PARP1 (0.37) KDM4EMAPTPOLBHTTRAB9A
SCHEMBL22111564 0.80 PARP1 (0.36) RAB9AMEN1KMT2A
SCHEMBL21616033 0.78 PARP1 (0.34) RAB9AMEN1KMT2A

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-2021025356-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME 엘티소재주식회사 2021-02-11 WO disclosed