SCHEMBL30891502

SCHEMBL30891502

O=C1Cc2ccccc2-c2ccccc2N1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.70
PDK2 Q15119 1/20 0.70
TDP2 O95551 1/20 0.66
CASP3 P42574 1/20 0.66
CASP7 P55210 1/20 0.66
CASP9 P55211 1/20 0.66
CASP6 P55212 1/20 0.66
CASP8 Q14790 1/20 0.66
MAP3K14 Q99558 1/20 0.66
NPC1 O15118 1/20 0.52
MAPK13 O15264 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
MAPK14 Q16539 1/20 0.52
CCNB2 O95067 4/20 0.50
CDK1 P06493 4/20 0.50
CCNB1 P14635 4/20 0.50
GSK3B P49841 4/20 0.50
CDK5 Q00535 4/20 0.50
CDK5R1 Q15078 4/20 0.50

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
SCHEMBL2825070 1.00 AHR (0.70) AHRPDK2TDP2CASP3CASP7
Hydrochloric Acid SCHEMBL6391264 0.98 AHR (0.68) AHRPDK2TDP2CASP3CASP7
Fluorene SCHEMBL28396879 0.90 AHR (0.81) AHRPDK2TDP2CASP3CASP7
Oxindole SCHEMBL19504 0.83 AHR (1.00) AHRPDK2TDP2CASP3CASP7
Oxindole SCHEMBL1144643 0.83 AHR (1.00) AHRPDK2TDP2CASP3CASP7
Oxindole SCHEMBL29358826 0.83 AHR (1.00) AHRPDK2TDP2CASP3CASP7
SCHEMBL4994383 0.81 GRIA1 (0.56) AHRPDK2TDP2CASP3CASP7
SCHEMBL4413360 0.81 CCNB2 (0.54) AHRPDK2TDP2CASP3CASP7
SCHEMBL6312601 0.81 CCNB2 (0.54) AHRPDK2TDP2CASP3CASP7
Oxindole SCHEMBL4720301 0.81 AHR (0.95) AHRPDK2TDP2CASP3CASP7

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-118994397-A Trispecific binding molecules directed against BCMA and uses thereof 诺华股份有限公司 2024-11-22 CN disclosed
CN-114173810-B Trispecific binding molecules directed against BCMA and uses thereof 诺华股份有限公司 2024-09-06 CN disclosed
CN-118459594-A Binding molecules to BCMA and uses thereof 诺华股份有限公司 2024-08-09 CN disclosed
CN-112384531-B Binding molecules to BCMA and uses thereof 诺华股份有限公司 2024-05-14 CN disclosed
US-11981929-B2 Use of small molecules to enhance MAFA expression in pancreatic endocrine cells JANSSEN BIOTECH, INC. (US) 2024-05-14 US disclosed