SCHEMBL25876298

SCHEMBL25876298

CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cccc21

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ENPP3 O14638 1/20 0.30
ENPP1 P22413 1/20 0.30
CASP3 P42574 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL25877658 0.95 CA12 (0.32) CA12CA1CA2CA9ENPP3
SCHEMBL25876020 0.95 ENPP3 (0.31) ENPP3ENPP1
SCHEMBL25875802 0.95 CASP3 (0.31) CASP3SENP7SENP6
SCHEMBL25876300 0.95 CHRNA1 (0.31) CA12CA1CA2CA9CASP3
SCHEMBL25876301 0.95 MAOA (0.30)
SCHEMBL25876924 0.95 TDP1 (0.32) CA12CA1CA2CA9
SCHEMBL25876295 0.94 CASP3 (0.32) CASP3SENP7SENP6
SCHEMBL25876169 0.94 PLA2G2A (0.31) CASP3SENP7SENP6
SCHEMBL25876167 0.94 PLA2G2A (0.33) CASP3SENP7SENP6
SCHEMBL25876304 0.93 HSP90AA1 (0.32) CASP3SENP7SENP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4243102-A1 ORGANIC LIGHT-EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-09-13 EP disclosed
EP-4235830-A1 ORGANIC LIGHT-EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-08-30 EP disclosed
WO-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 WO disclosed