SCHEMBL9305191

SCHEMBL9305191

c1ccc2cc(Cn3nnc4ccccc43)ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.66
▸ GRM2 Q14416 7/20 0.66
▸ SLC9A1 P19634 3/20 0.66
▸ TDP1 Q9NUW8 1/20 0.65
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ FAAH O00519 1/20 0.54
▸ MGLL Q99685 1/20 0.54
▸ KCNMA1 Q12791 1/20 0.51
▸ VDR P11473 1/20 0.51
▸ PTK2 Q05397 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ RAB9A P51151 1/20 0.50

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
SCHEMBL30368818 1.00 GAA (0.66) GAAGRM2SLC9A1TDP1ALDH1A1
SCHEMBL6946472 0.80 TDP1 (0.68) GRM2SLC9A1TDP1KCNMA1PTK2
SCHEMBL2734889 0.80 GRM2 (1.00) GRM2SLC9A1TDP1ALDH1A1KCNMA1
SCHEMBL18617299 0.78 GRM2 (0.66) GRM2SLC9A1TDP1ALDH1A1LMNA
SCHEMBL16398499 0.78 GRM2 (0.75) GRM2SLC9A1TDP1LMNATP53
SCHEMBL28345673 0.78 GRM2 (0.75) GRM2SLC9A1TDP1ALDH1A1KCNMA1
SCHEMBL7597659 0.78 GRM2 (0.75) GRM2SLC9A1TDP1PTK2
SCHEMBL22000732 0.78 GRM2 (0.75) GAAGRM2SLC9A1TDP1LMNA
SCHEMBL7599503 0.77 SLC9A1 (0.69) GRM2SLC9A1TDP1ALDH1A1LMNA
SCHEMBL14809085 0.77 PTK2 (0.72) GAAGRM2SLC9A1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112645784-B Simple and efficient biaromatic alkyne synthesis method 重庆文理学院 2023-04-21 — — CN claimed
CN-112645784-A Simple and efficient synthetic method of diaryl alkyne 重庆文理学院 2021-04-13 — — CN claimed
CN-112645784-B Simple and efficient biaromatic alkyne synthesis method 重庆文理学院 2023-04-21 — — CN disclosed
CN-112645784-A Simple and efficient synthetic method of diaryl alkyne 重庆文理学院 2021-04-13 — — CN disclosed
US-5374701-A Crosslinkable polymers of high strength free of structural defects HAY ALLAN S (CA) 1994-12-20 — — US disclosed
US-5233046-A DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALLAN S (CA) 1993-08-03 — — US disclosed
WO-1993009079-A1 DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALAN S (CA) 1993-05-13 — — WO disclosed
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