SCHEMBL31345281

SCHEMBL31345281

COc1ccc(Cl)c(-c2ccccc2S)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE2A O00408 2/20 0.41
PDE10A Q9Y233 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
GPR3 P46089 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.40
HTR1A P08908 6/20 0.40
HTR7 P34969 6/20 0.40
HTR2B P41595 6/20 0.40
HTR5A P47898 6/20 0.40
HTR6 P50406 6/20 0.40
HTR1D P28221 5/20 0.40

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
SCHEMBL31345280 0.86 GPR3 (0.45) HSP90AA1HSP90AB1MEN1ALOX15KMT2A
SCHEMBL19785375 0.83 HSP90AA1 (0.56) HSP90AA1HSP90AB1MEN1ALOX15KMT2A
SCHEMBL24042747 0.79 HTR7 (0.57) HTR1AHTR7HTR2BHTR5AHTR6
SCHEMBL29132917 0.79 ALDH1A1 (0.46) MEN1KMT2ACYP1A2CYP2A6GPR3
SCHEMBL15751000 0.79 HSP90AA1 (0.51) HSP90AA1HSP90AB1MEN1ALOX15KMT2A
SCHEMBL321710 0.79 NPC1 (0.50) HSP90AA1HSP90AB1MEN1ALOX15KMT2A
SCHEMBL8314878 0.79 CA12 (0.43) HSP90AA1HSP90AB1MEN1KMT2ACYP1A2
SCHEMBL3717610 0.78 HSP90AA1 (0.40) HSP90AA1HSP90AB1MEN1ALOX15KMT2A
SCHEMBL28492019 0.77 GPR3 (0.46) MEN1KMT2ACYP1A2CYP2A6GPR3
SCHEMBL9254220 0.77 HSP90AA1 (0.42) HSP90AA1HSP90AB1MEN1ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119306735-A Organic compound, application thereof and organic electroluminescent device 北京鼎材科技有限公司 2025-01-14 CN disclosed