SCHEMBL25858372

SCHEMBL25858372

C1=CC(c2n[nH]c(-c3ccccc3)n2)=CCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.57
NR1H3 Q13133 7/20 0.57
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
LMNA P02545 2/20 0.49
HPGDS O60760 1/20 0.49
DGAT1 O75907 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
ATAD2 Q6PL18 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 3/20 0.44
KDM4E B2RXH2 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.42
ADORA2A P29274 2/20 0.41

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
SCHEMBL25858376 0.88 NR1H2 (0.57) NR1H2NR1H3NPC1RAB9ALMNA
SCHEMBL13262321 0.77 L3MBTL1 (0.44) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL25859634 0.74 NR1H2 (0.51) NR1H2NR1H3NPC1RAB9ALMNA
SCHEMBL23033831 0.74 MAPT (0.44) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20403520 0.74 L3MBTL1 (0.41) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL666693 0.74 NR1H2 (1.00) NR1H2NR1H3NPC1RAB9ALMNA
SCHEMBL7137949 0.73 MTOR (0.32) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL1071190 0.73 NR1H2 (0.96) NR1H2NR1H3NPC1RAB9ALMNA
SCHEMBL17574086 0.73 NR1H2 (0.96) NR1H2NR1H3NPC1RAB9ALMNA
SCHEMBL26109969 0.73 NR1H2 (0.96) NR1H2NR1H3NPC1RAB9ALMNA

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
EP-4206189-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG Display Co., Ltd. (KR) 2023-07-05 EP disclosed