SCHEMBL24439764

SCHEMBL24439764

Cn1c2ccccc2c2ccc(OCC(=O)NCc3cccc(F)c3)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
SGMS1 Q86VZ5 1/20 0.53
ADORA2B P29275 2/20 0.53
ADORA1 P30542 2/20 0.53
ROCK2 O75116 1/20 0.52
THRB P10828 2/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45

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
SCHEMBL29605163 1.00 POLB (0.54) POLBSGMS1ADORA2BADORA1ROCK2
SCHEMBL24439707 0.91 SMN1; SMN2 (0.55) POLBSGMS1ADORA2BADORA1ROCK2
SCHEMBL29605521 0.91 SMN1; SMN2 (0.55) POLBSGMS1ADORA2BADORA1ROCK2
SCHEMBL29606877 0.89 GAA (0.59) SGMS1ADORA2BADORA1THRBHPGD
SCHEMBL24439763 0.89 GAA (0.59) SGMS1ADORA2BADORA1THRBHPGD
SCHEMBL24439765 0.89 HPGD (0.59) POLBADORA2BADORA1CYP1A2CYP3A4
SCHEMBL29605285 0.89 HPGD (0.59) POLBADORA2BADORA1CYP1A2CYP3A4
SCHEMBL24439854 0.83 SRC (0.60) POLBROCK2HPGDKMT2AMAPT
SCHEMBL29604952 0.83 SRC (0.60) POLBROCK2HPGDKMT2AMAPT
SCHEMBL24439708 0.82 LMNA (0.53) POLBSGMS1ADORA2BADORA1THRB

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