SCHEMBL9563208

SCHEMBL9563208

ClC(c1ccccc1)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
TSHR P16473 2/20 0.42
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
TP53 P04637 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KEAP1 Q14145 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
AHR P35869 1/20 0.36
POLB P06746 1/20 0.35
EGFR P00533 1/20 0.35
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
LMNA P02545 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
SCHEMBL9563280 0.84 CES2 (0.42) MAPTTSHRCES2CES1KEAP1
SCHEMBL14033230 0.83 SLC6A3 (0.42) MAPTTSHRSLC6A3HTTNPC1
SCHEMBL7320913 0.82 SLC6A3 (0.41) MAPTTSHRTP53SLC6A3HTT
SCHEMBL9563302 0.78 IDO1 (0.36) MAPTTSHRCES2CES1KEAP1
SCHEMBL9163004 0.77 CYP19A1 (0.39) MAPTTSHROPRD1LMNA
SCHEMBL1537396 0.77 MAPT (0.57) MAPTTSHROPRM1OPRD1OPRK1
SCHEMBL31065464 0.77 MAPT (0.57) MAPTTSHROPRM1OPRD1OPRK1
SCHEMBL945317 0.76 MAPT (0.44) MAPTTSHROPRM1OPRD1OPRK1
SCHEMBL4167223 0.74 MAPT (0.42) MAPTTSHROPRM1OPRD1OPRK1
SCHEMBL3645137 0.74 MAPT (0.46) MAPTTSHROPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116946989-A Preparation method of phosphane/deuterated phosphane and derivatives thereof 北京大学 2023-10-27 CN disclosed
CN-116438214-A Sealing material for organic EL display element, cured product thereof, and organic EL display device 三井化学株式会社 2023-07-14 CN disclosed
EP-0529365-A1 Diarylmethoxypiperidine derivatives Kaken Pharmaceutical Co., Ltd. (JP) 1993-03-03 EP disclosed
US-5190959-A Antihistamines, antiallergens, treatment of ischemic heart disease KAKEN PHARMACEUTICAL CO. LTD. (JP) 1993-03-02 US disclosed