SCHEMBL25859634

SCHEMBL25859634

CC1C=C(c2n[nH]c(-c3ccccc3)n2)C=CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.51
NR1H3 Q13133 7/20 0.51
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
LMNA P02545 2/20 0.44
HPGDS O60760 1/20 0.44
DGAT1 O75907 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
ATAD2 Q6PL18 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
ALPL P05186 2/20 0.40
ALPG P10696 1/20 0.40
DCUN1D1 Q96GG9 2/20 0.40
CYP1A2 P05177 2/20 0.40

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
SCHEMBL30615383 0.76 HTT (0.37) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL17637656 0.75 L3MBTL1 (0.35) LMNAKMT2AALDH1A1TSHRHTT
SCHEMBL19413677 0.75 L3MBTL1 (0.54) NR1H2NR1H3NPC1RAB9ALMNA
SCHEMBL25858372 0.74 NR1H2 (0.57) NR1H2NR1H3NPC1RAB9ALMNA
SCHEMBL19297301 0.72 ESR1 (0.39) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL24381707 0.70 NPC1 (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL666693 0.70 NR1H2 (1.00) NR1H2NR1H3NPC1RAB9ALMNA
SCHEMBL20407213 0.69 MEN1 (0.41) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL17574086 0.69 NR1H2 (0.96) NR1H2NR1H3NPC1RAB9ALMNA
SCHEMBL1071190 0.69 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