SCHEMBL23618591

SCHEMBL23618591

Ic1cnc2ccc3ccccc3c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RECQL P46063 1/20 0.46
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 3/20 0.42
GPR3 P46089 1/20 0.42
PRMT5 O14744 1/20 0.41
PRMT3 O60678 1/20 0.41
CARM1 Q86X55 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT1 Q99873 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
SLC2A1 P11166 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.39

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
SCHEMBL17532740 0.78 MAPT (0.49) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL28088960 0.78 MAPT (0.46) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL5470832 0.75 PRMT5 (0.56) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL31379757 0.75 SMN1; SMN2 (0.56) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL24596450 0.75 SMN1; SMN2 (0.56) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL23027009 0.75 PRMT5 (0.49) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL18963352 0.74 CYP2A6 (0.48) NPC1RAB9AMAPTLMNACYP3A4
SCHEMBL18293123 0.74 MAPT (0.42) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL29183132 0.74 MAPT (0.42) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL25899351 0.74 NPC1 (0.42) NPC1RAB9AMAPTLMNASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022267839-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT, AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2022-12-29 WO disclosed
WO-2021135182-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed