SCHEMBL23587249

SCHEMBL23587249

Cc1ccc2c(c1)C(F)=CCC2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.43
PARP1 P09874 1/20 0.43
CYP19A1 P11511 4/20 0.38
CYP11B2 P19099 2/20 0.38
METAP1 P53582 2/20 0.37
ACHE P22303 1/20 0.37
TYMS P04818 1/20 0.34
NISCH Q9Y2I1 1/20 0.33
PARP11 Q9NR21 1/20 0.33
RXRA P19793 1/20 0.32
NPY5R Q15761 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
SRD5A1 P18405 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL28115385 0.80 METAP1 (0.39) PARP10PARP1CYP19A1CYP11B2METAP1
SCHEMBL26621932 0.77 PARP10 (0.43) PARP10PARP1CYP19A1CYP11B2METAP1
SCHEMBL11518357 0.76 MPO (0.50) PARP10PARP1CYP19A1CYP11B2METAP1
SCHEMBL10078249 0.72 HTR7 (0.48) PARP10PARP1CYP19A1CYP11B2METAP1
SCHEMBL8053792 0.71 CES1 (0.43) PARP10PARP1PARP11MAOAMAOB
SCHEMBL14302058 0.70 PARP1 (0.38) PARP10PARP1CYP19A1CYP11B2METAP1
SCHEMBL3276469 0.69 PARP1 (0.43) PARP10PARP1CYP11B2ACHETYMS
SCHEMBL25945070 0.68 LMNA (0.40) PARP10PARP1METAP1ACHERXRA
SCHEMBL29325133 0.67 NPC1 (0.37)
SCHEMBL13591218 0.67 MEN1 (0.40) PARP10PARP1

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
EP-3842444-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2021-06-30 EP disclosed