SCHEMBL29078985

SCHEMBL29078985

Cc1ccc(C(C#CNC=O)(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
KIF11 P52732 4/20 0.39
ATM Q13315 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH7 P40394 1/20 0.33
POLB P06746 1/20 0.33
CA12 O43570 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL29078998 0.89 LMNA (0.36) MEN1KMT2AALDH1A1LMNAADH1B
SCHEMBL29079001 0.86 KIF11 (0.39) MEN1KMT2AKIF11SMN1; SMN2NPC1
SCHEMBL29078995 0.85 LTA4H (0.40) MEN1KMT2AATMSMN1; SMN2NPC1
SCHEMBL29079004 0.84 MAOB (0.37) MEN1KMT2AKIF11SMN1; SMN2NPC1
SCHEMBL29079010 0.77 KIF11 (0.35) KIF11ATMNPC1RAB9AALDH1A1
SCHEMBL29078986 0.75 ADH1B (0.33) ALDH1A1ADH1BADH1CADH1AADH7
SCHEMBL29079007 0.74 MMP1 (0.33) SMN1; SMN2NPC1RAB9ALMNAADH1B
SCHEMBL9447405 0.72 KIF11 (0.46) MEN1KMT2AKIF11ATMHTT
SCHEMBL9583067 0.66 MEN1 (0.39) MEN1KMT2AKIF11ATMSMN1; SMN2
SCHEMBL96457 0.64 TAAR1 (0.52) MEN1KMT2AATMSMN1; SMN2ALDH1A1

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
CN-116396218-A Synthesis method of benzazepine compound 南京师范大学 2023-07-07 CN disclosed