SCHEMBL21661891

SCHEMBL21661891

CC(N)c1cc(-c2ccccc2)nc(-c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.50
ADORA2A P29274 2/20 0.50
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
RAB9A P51151 3/20 0.46
MAPT P10636 4/20 0.46
AGTR1 P30556 2/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL9704476 0.83 MEN1 (0.50) ADORA1ADORA2AMEN1KMT2ARAB9A
SCHEMBL21076103 0.80 MEN1 (0.47) ADORA1ADORA2AMEN1KMT2ARAB9A
SCHEMBL24795576 0.80 DHODH (0.49) ADORA1ADORA2AMEN1KMT2ARAB9A
SCHEMBL11996121 0.76 KMT2A (0.49) ADORA1ADORA2AMEN1KMT2ARAB9A
SCHEMBL16414122 0.76 MEN1 (0.50) ADORA1ADORA2AMEN1KMT2ARAB9A
SCHEMBL20152519 0.76 RXRA (0.50) ADORA1ADORA2AMEN1KMT2ARAB9A
SCHEMBL1252080 0.75 RXRA (0.49) ALDH1A1KDM4E
SCHEMBL28726688 0.75 MEN1 (0.50) ADORA1ADORA2AMEN1KMT2ARAB9A
SCHEMBL10145754 0.75 RXRA (0.49) ALDH1A1KDM4E
SCHEMBL42393 0.75

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-2020027506-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2020-02-06 WO disclosed