SCHEMBL24439765

SCHEMBL24439765

Cn1c2ccccc2c2ccc(OCC(=O)NCc3ccccc3)cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.59
KMT2A Q03164 3/20 0.59
ADORA2B P29275 3/20 0.58
ADORA1 P30542 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ADORA2A P29274 1/20 0.53
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
LSS P48449 1/20 0.51
MEN1 O00255 1/20 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
SCHEMBL29605285 1.00 HPGD (0.59) HPGDKMT2AADORA2BADORA1L3MBTL1
SCHEMBL24439763 0.91 GAA (0.59) HPGDKMT2AADORA2BADORA1SMN1; SMN2
SCHEMBL29606877 0.91 GAA (0.59) HPGDKMT2AADORA2BADORA1SMN1; SMN2
SCHEMBL29605252 0.90 MEN1 (0.58) HPGDKMT2AADORA2BADORA1SMN1; SMN2
SCHEMBL24439766 0.90 MEN1 (0.58) HPGDKMT2AADORA2BADORA1SMN1; SMN2
SCHEMBL24439764 0.89 POLB (0.54) HPGDKMT2AADORA2BADORA1POLB
SCHEMBL29605163 0.89 POLB (0.54) HPGDKMT2AADORA2BADORA1POLB
SCHEMBL24439861 0.83 PSEN1 (0.66) HPGDKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL29606060 0.83 PSEN1 (0.66) HPGDKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL24439707 0.82 SMN1; SMN2 (0.55) HPGDKMT2AADORA2BADORA1POLB

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
WO-2022103149-A1 NOVEL CARBAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER COMPRISING SAME AS ACTIVE INGREDIENT 주식회사 큐라클 2022-05-19 WO disclosed