SCHEMBL24439766

SCHEMBL24439766

Cn1c2ccccc2c2ccc(OCC(=O)NCCc3ccccc3)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
PTPN1 P18031 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
ADORA2B P29275 2/20 0.53
ADORA1 P30542 2/20 0.53
HTT P42858 2/20 0.52
HPGD P15428 3/20 0.52
ABCB1 P08183 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
GAA P10253 1/20 0.50
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49

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
SCHEMBL29605252 1.00 MEN1 (0.58) MEN1KMT2APTPN1SMN1; SMN2ADORA2B
SCHEMBL24439708 0.92 LMNA (0.53) MEN1KMT2APTPN1SMN1; SMN2ADORA2B
SCHEMBL29604999 0.92 LMNA (0.53) MEN1KMT2APTPN1SMN1; SMN2ADORA2B
SCHEMBL29605521 0.90 SMN1; SMN2 (0.55) MEN1KMT2APTPN1SMN1; SMN2ADORA2B
SCHEMBL24439707 0.90 SMN1; SMN2 (0.55) MEN1KMT2APTPN1SMN1; SMN2ADORA2B
SCHEMBL24439765 0.90 HPGD (0.59) MEN1KMT2ASMN1; SMN2ADORA2BADORA1
SCHEMBL29605285 0.90 HPGD (0.59) MEN1KMT2ASMN1; SMN2ADORA2BADORA1
SCHEMBL24439764 0.82 POLB (0.54) KMT2ASMN1; SMN2ADORA2BADORA1HTT
SCHEMBL29605163 0.82 POLB (0.54) KMT2ASMN1; SMN2ADORA2BADORA1HTT
SCHEMBL24439763 0.81 GAA (0.59) MEN1KMT2ASMN1; SMN2ADORA2BADORA1

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