SCHEMBL21758898

SCHEMBL21758898

Cc1ccc2c(oc3ccccc32)c1N1C[C@@H](C)N(c2ccccc2)c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 4/20 0.32
NPSR1 Q6W5P4 3/20 0.32
LMNA P02545 2/20 0.32
PPARG P37231 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
NR2E3 Q9Y5X4 2/20 0.32
NCOR2 Q9Y618 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 3/20 0.31
PLA2G1B P04054 1/20 0.31
GAA P10253 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
HSD17B10 Q99714 3/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
MAPK1 P28482 2/20 0.31
TSHR P16473 2/20 0.31
HTT P42858 2/20 0.31
NPY1R P25929 1/20 0.31

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
SCHEMBL20686975 1.00 RAB9A (0.32) RAB9AALDH1A1NPSR1LMNAPPARG
SCHEMBL24263921 0.88 HSD17B10 (0.34) ALDH1A1NPSR1LMNAMAPTHSD17B10
SCHEMBL21363221 0.88 HSD17B10 (0.34) ALDH1A1NPSR1LMNAMAPTHSD17B10
SCHEMBL24263911 0.88 HSD17B10 (0.34) ALDH1A1NPSR1LMNAMAPTHSD17B10
SCHEMBL21204095 0.85 PIK3CA (0.31)
SCHEMBL24263643 0.85 PIK3CA (0.31)
SCHEMBL20687032 0.83 HSD17B10 (0.35) ALDH1A1NPSR1LMNAPPARGRXFP1
SCHEMBL21204144 0.83
SCHEMBL21074253 0.82 MEN1 (0.33) RAB9AALDH1A1NPSR1LMNAPPARG
SCHEMBL19999702 0.82 MEN1 (0.33) RAB9AALDH1A1NPSR1LMNAPPARG

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
EP-4206210-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2023-07-05 EP disclosed
EP-3613751-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2020-02-26 EP disclosed