SCHEMBL28873005

SCHEMBL28873005

Fc1cc2c(cc1N1CCNCC1)N(C1CC1)CCC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TOP2A P11388 2/20 0.42
HTR2C P28335 7/20 0.42
HTR2B P41595 6/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
TOP2B Q02880 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NOS1 P29475 2/20 0.39
OPRL1 P41146 2/20 0.38
CYP2C19 P33261 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL30059728 0.78 MAPT (0.50) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL28776450 0.76 TOP2A (0.50) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL29724074 0.76 TOP2A (0.50) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL28296390 0.76 HRH4 (0.38) LMNAHTR2CHTR2BCYP2C9HTR2A
SCHEMBL7236252 0.71 TOP2A (0.43) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL6582872 0.69 ALDH1A1 (0.56) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL16229892 0.67 NOS1 (0.53) HTR2CHTR2BNOS1CYP2C19HTR2A
SCHEMBL9668536 0.66 ALDH1A1 (0.47) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL16329562 0.66 TOP2A (0.55) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL21833459 0.66 LMNA (0.51) MAPTLMNAGAAALDH1A1SMN1; SMN2

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-109776411-A Mustargen Carbostyril derivative and its preparation method and application 石家庄学院 2019-05-21 CN disclosed