SCHEMBL28536404

SCHEMBL28536404

c1ccc(CNCc2c[nH]cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
BCHE P06276 2/20 0.43
KDM4A O75164 2/20 0.42
KDM4B O94953 2/20 0.42
KDM5C P41229 2/20 0.42
KDM5B Q9UGL1 2/20 0.42
MAOA P21397 1/20 0.41
ROCK1 Q13464 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
CHRM2 P08172 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
DRD4 P21917 1/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL10478067 0.85 EPHX2 (0.54) BCHEROCK1HRH4GAAMAPT
SCHEMBL4605920 0.85 GAA (0.53) MEN1KMT2ATDP1BCHEMAOA
SCHEMBL3579708 0.79 ANPEP (0.44) MEN1KMT2ATDP1BCHEMAOA
SCHEMBL649075 0.77 ALDH1A1 (0.46) MEN1KMT2ATDP1HRH4ALDH1A1
SCHEMBL631554 0.76 MAOA (0.55) MAOAMAPTALDH1A1
SCHEMBL6180571 0.76 SIGMAR1 (0.50) GAAMAPT
SCHEMBL18539294 0.76 KDM4E (0.42) BCHE
SCHEMBL27246683 0.76 BCHE (0.39) TDP1BCHEGAADRD4ALDH1A1
SCHEMBL1753940 0.76 KCNH2 (0.50) TDP1MAOAALDH1A1
Hydrochloric Acid SCHEMBL631888 0.75 MAOA (0.53) MAOAMAPTALDH1A1

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-113150068-A Peptide compound, application thereof and composition containing peptide compound 尚华医药科技(江西)有限公司 2021-07-23 CN disclosed
CN-109517039-B Peptide compound, application thereof and composition containing peptide compound 尚华医药科技(江西)有限公司 2021-03-19 CN disclosed