SCHEMBL23957375

SCHEMBL23957375

CN1Cc2ccc(Cl)cc2CC1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.42
METAP1 P53582 1/20 0.42
SRD5A1 P18405 10/20 0.41
SRD5A2 P31213 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
AHR P35869 2/20 0.40
CMA1 P23946 1/20 0.40
GAA P10253 1/20 0.39
CYP11B2 P19099 1/20 0.39
HSD17B3 P37058 2/20 0.38

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
SCHEMBL29481934 1.00 P2RX7 (0.42) P2RX7METAP1SRD5A1SRD5A2SMN1; SMN2
SCHEMBL4307204 0.93 CYP11B2 (0.44) P2RX7METAP1SRD5A1SRD5A2SMN1; SMN2
SCHEMBL13136752 0.84 SRD5A1 (0.50) P2RX7SRD5A1SRD5A2SMN1; SMN2LMNA
SCHEMBL1956260 0.83 GAA (0.55) P2RX7METAP1SRD5A1SRD5A2SMN1; SMN2
SCHEMBL21603396 0.79 SMN1; SMN2 (0.42) SMN1; SMN2LMNAGAACYP11B2HSD17B3
SCHEMBL21183690 0.79 BRD4 (0.54) METAP1SRD5A1SMN1; SMN2AHRCMA1
SCHEMBL28619979 0.79 TDP2 (0.41) SRD5A1SMN1; SMN2GAACYP11B2
SCHEMBL29481924 0.78 METAP1 (0.39) P2RX7METAP1SRD5A1SRD5A2AHR
SCHEMBL23957214 0.78 METAP1 (0.39) P2RX7METAP1SRD5A1SRD5A2AHR
SCHEMBL13637299 0.76 HSP90AA1 (0.38) SMN1; SMN2LMNAGAACYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116425678-A Hydrochloride of aminocyclobutane derivative and crystal form and preparation thereof 苏州恩华生物医药科技有限公司 2023-07-14 CN disclosed
CN-116425677-A Salts of aminocyclobutane derivatives, crystalline forms thereof, and preparation methods and applications thereof 苏州恩华生物医药科技有限公司 2023-07-14 CN disclosed
CN-114269747-B 1',2' -dihydro-3'H-spiro [ cyclobutane 1,4' -isoquinoline ] -3' -one derivative and application thereof 苏州恩华生物医药科技有限公司 2023-04-18 CN disclosed
CN-114269747-A 1 ', 2 ' -dihydro-3 ' H-spiro [ cyclobutane 1,4 ' -isoquinoline ] -3 ' -ketone derivative and application thereof 苏州恩华生物医药科技有限公司 2022-04-01 CN disclosed
WO-2021213353-A1 AMIDE OR SULFONAMIDE DERIVATIVE AND USE THEREOF 苏州恩华生物医药科技有限公司 (CN) 2021-10-28 WO disclosed