SCHEMBL8965651

SCHEMBL8965651

c1ccc(C[N+]2(Cc3ccccc3)CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP2D6 P10635 1/20 0.40
SIGMAR1 Q99720 1/20 0.38
CALM1 P0DP23 1/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNA7 P36544 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
PABPC1 P11940 1/20 0.35
APOBEC3A P31941 1/20 0.35
EIF4H Q15056 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
ALDH1A1 P00352 1/20 0.35
IDO1 P14902 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL8056836 1.00 HTT (0.42) HTTLMNAHIF1ACYP2D6SIGMAR1
Hydrochloric Acid SCHEMBL11771900 0.98 HTT (0.41) HTTLMNAHIF1ACYP2D6SIGMAR1
SCHEMBL3686301 0.98 LMNA (0.44) HTTLMNAHIF1ACYP2D6SIGMAR1
Hydrochloric Acid SCHEMBL11775352 0.95 LMNA (0.42) HTTLMNAHIF1ACYP2D6SIGMAR1
SCHEMBL14587060 0.88 LMNA (0.46) HTTLMNAHIF1ACYP2D6CHRNB2
SCHEMBL1017459 0.87 HIF1A (0.46) HIF1ACYP2D6SIGMAR1CALM1CHRNB2
SCHEMBL8965143 0.87 CHRNA7 (0.43) HTTLMNAHIF1ACYP2D6CHRNB2
SCHEMBL5944660 0.87 CHRNA7 (0.43) HTTLMNAHIF1ACYP2D6CHRNB2
SCHEMBL14508526 0.87 SMN1; SMN2 (0.39) HTTLMNAHIF1ACYP2D6SIGMAR1
SCHEMBL1964501 0.85 CHRNA7 (0.44) HTTLMNAHIF1ACYP2D6CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115461332-A Synthesis of vinyl alcohol intermediates 安进公司 2022-12-09 CN claimed
CN-115461332-A Synthesis of vinyl alcohol intermediates 安进公司 2022-12-09 CN disclosed
CN-108430503-A Compositions and methods for activating 'interferon gene stimulator' dependent signaling 艾杜罗生物科技公司 2018-08-21 CN disclosed
CN-1045776-C Thiazolidines and oxazolidines substituted with a pyridine ring and their use as hypoglycemic agents NISSAN CHEMICAL IND LTD (JP) 1999-10-20 CN disclosed
CN-1144526-A Thiazolidines and oxazolidines substituted by pyridine ring and their use a hypoglycemic agents NISSAN CHEMICAL IND LTD (JP) 1997-03-05 CN disclosed
EP-0619300-B1 Process for the preparation of halogenmethylbenzoyl cyanides and halogenmethyl benzoylcyanides BASF AG (DE) 1996-12-27 EP disclosed
US-5510528-A Preparation of halomethylbenzoly cyanides and novel halomethylbenzoyl cyanides BASF AKTIENGESELLSCHAFT (DE) 1996-04-23 US disclosed
US-5446199-A Preparation of halomethylbenzoyl cyanides and novel halomethylbenzoyl cyanides BASF AKTIENGESELLSCHAFT (DE) 1995-08-29 US disclosed
EP-0619300-A2 Process for the preparation of halogenmethylbenzoyl cyanides and halogenmethyl benzoylcyanides BASF Aktiengesellschaft (DE) 1994-10-12 EP disclosed