SCHEMBL21674170

SCHEMBL21674170

c1ccc(-c2ccc3nc(-c4ccc(-c5cc(-c6ccc(-c7nc8ccccc8o7)cc6)cc(-c6ccc(-c7nc8ccccc8o7)cc6)c5)cc4)oc3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.59
RAB9A P51151 7/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
ATM Q13315 1/20 0.59
SMN1; SMN2 Q16637 8/20 0.55
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 6/20 0.55
HPGD P15428 6/20 0.55
TP53 P04637 3/20 0.55
HSD17B10 Q99714 2/20 0.55
GPR119 Q8TDV5 2/20 0.54
MAPT P10636 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CASP3 P42574 2/20 0.53
SENP7 Q9BQF6 2/20 0.53
SENP6 Q9GZR1 2/20 0.53
POLB P06746 1/20 0.53
SENP8 Q96LD8 1/20 0.53
MMP2 P08253 1/20 0.52

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
SCHEMBL19846114 0.94 NPC1 (0.67) NPC1RAB9AMEN1KMT2AATM
SCHEMBL18646304 0.94 NPC1 (0.67) NPC1RAB9AMEN1KMT2AATM
SCHEMBL29819610 0.92 GPR119 (0.61) NPC1RAB9AMEN1KMT2AATM
SCHEMBL590701 0.92 GPR119 (0.61) NPC1RAB9AMEN1KMT2AATM
SCHEMBL29820037 0.92 GPR119 (0.61) NPC1RAB9AMEN1KMT2AATM
SCHEMBL24295224 0.90 GPR119 (0.62) NPC1RAB9AMEN1KMT2AATM
SCHEMBL21674168 0.90 NPC1 (0.71) NPC1RAB9AMEN1KMT2AATM
SCHEMBL21674267 0.89 NPC1 (0.69) NPC1RAB9AMEN1KMT2AATM
SCHEMBL19846118 0.89 ALDH1A1 (0.60) NPC1RAB9AMEN1KMT2AATM
SCHEMBL752483 0.88 NPC1 (0.73) NPC1RAB9AMEN1KMT2AATM

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-2020027389-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME (주)피엔에이치테크 2020-02-06 WO disclosed