SCHEMBL29272014

SCHEMBL29272014

CN1[CH]N(Cc2ccccc2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.41
LMNA P02545 2/20 0.40
NSD2 O96028 1/20 0.40
HPGD P15428 1/20 0.40
BRD4 O60885 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
ELANE P08246 2/20 0.38
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
CTRC Q99895 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ALDH2 P05091 1/20 0.37
CHRM1 P11229 1/20 0.37
CES1 P23141 1/20 0.37
ALDH3A1 P30838 1/20 0.37
EPHX2 P34913 1/20 0.37
CYP19A1 P11511 2/20 0.36

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
SCHEMBL27586740 0.80 NSD2 (0.40) MC4RLMNANSD2HPGDBRD4
SCHEMBL29011569 0.77 KDM4E (0.35) LMNANSD2HPGDALDH1A1ALDH2
SCHEMBL29011576 0.75 KDM4E (0.40) LMNANSD2SIGMAR1ALDH1A1ALDH2
SCHEMBL14837485 0.74 CYP19A1 (0.44) LMNANSD2HPGDALDH1A1CYP19A1
SCHEMBL27832536 0.74 CHRM5 (0.46) LMNANSD2HPGDSIGMAR1ALDH1A1
SCHEMBL27703719 0.74 SLC6A2 (0.42) MC4RLMNANSD2HPGDBRD4
SCHEMBL27832532 0.73 ALDH1A1 (0.43) LMNANSD2HPGDSIGMAR1ALDH1A1
SCHEMBL3308632 0.72 MAOA (0.42) LMNANSD2HPGDALDH1A1CES1
SCHEMBL29011566 0.72 TDP1 (0.39) LMNAALDH1A1ALDH2CHRM1CES1
SCHEMBL29271978 0.71 KMT2A (0.39) LMNANSD2ALDH1A1POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290346-A Method for producing amide compound, and amide compound 广荣化学株式会社 2024-07-05 CN disclosed
CN-112703184-B Method for producing amide compound, and amide compound 广荣化学株式会社 2024-06-11 CN disclosed