SCHEMBL28296350

SCHEMBL28296350

Clc1ccc(-c2cccc3c2Cc2ccccc2-3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.47
HTR7 P34969 3/20 0.47
HTR1A P08908 2/20 0.47
CNR1 P21554 1/20 0.44
HSP90AA1 P07900 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ACHE P22303 1/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR2B P41595 1/20 0.39
PRCP P42785 1/20 0.38
NOS3 P29474 1/20 0.37

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
SCHEMBL20123179 0.87 CYP1A2 (0.42) PNMTHTR7HTR1ACNR1HSP90AA1
SCHEMBL28928665 0.85 PNMT (0.50) PNMTHTR7HTR1ANPC1RAB9A
SCHEMBL29401802 0.84 PNMT (0.53) PNMTHTR7HTR1ANPC1RAB9A
SCHEMBL70992 0.84 PNMT (0.53) PNMTHTR7HTR1ANPC1RAB9A
SCHEMBL29809707 0.84 PNMT (0.53) PNMTHTR7HTR1ANPC1RAB9A
Bromide SCHEMBL15404509 0.82 PNMT (0.52) PNMTHTR7HTR1ANPC1RAB9A
SCHEMBL27718430 0.82 PNMT (0.52) PNMTHTR7HTR1ANPC1RAB9A
SCHEMBL524602 0.82 PNMT (0.63) PNMTHTR7NPC1RAB9AACHE
SCHEMBL30103334 0.82 PNMT (0.63) PNMTHTR7NPC1RAB9AACHE
SCHEMBL7520992 0.81 PNMT (0.47) PNMTHTR7NPC1RAB9ASMN1; SMN2

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-118126295-A Sulfonated poly aryl ketone polymer and preparation method thereof 吉林大学 2024-06-04 CN claimed
CN-115894558-A Aromatic phosphine oxide compound containing diphenylfluorene and preparation method thereof 黑龙江大学 2023-04-04 CN claimed
CN-118126295-A Sulfonated poly aryl ketone polymer and preparation method thereof 吉林大学 2024-06-04 CN disclosed
CN-118126295-A Sulfonated poly aryl ketone polymer and preparation method thereof 吉林大学 2024-06-04 CN disclosed
CN-116751181-A Electronic device 默克专利有限公司 2023-09-15 CN disclosed
CN-109791979-B Electronic device 默克专利有限公司 2023-06-20 CN disclosed
CN-115894558-A Aromatic phosphine oxide compound containing diphenylfluorene and preparation method thereof 黑龙江大学 2023-04-04 CN disclosed
CN-111978283-A Electronic device 默克专利有限公司 2020-11-24 CN disclosed
CN-109791979-A Electronic device 默克专利有限公司 2019-05-21 CN disclosed