SCHEMBL21901282

SCHEMBL21901282

Cc1c(O)ccc2c1-c1cccc3c1C(C2)N(C)CC3

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.80
ALDH1A1 P00352 6/20 0.80
HPGD P15428 6/20 0.80
DRD2 P14416 6/20 0.80
MAPT P10636 5/20 0.80
MAPK1 P28482 5/20 0.80
HSD17B10 Q99714 5/20 0.80
HTR1A P08908 5/20 0.80
TP53 P04637 4/20 0.80
PKM P14618 4/20 0.80
LMNA P02545 4/20 0.80
CYP2C9 P11712 4/20 0.80
KMT2A Q03164 3/20 0.80
CYP1A2 P05177 3/20 0.80
GAA P10253 3/20 0.80
CYP2C19 P33261 3/20 0.80
MEN1 O00255 2/20 0.80
CYP3A4 P08684 2/20 0.80
MDM2 Q00987 2/20 0.80
ALOX15 P16050 2/20 0.80

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
(S)Apomorphine SCHEMBL30554804 0.89 KDM4E (1.00) KDM4EALDH1A1HPGDDRD2MAPT
Apomorphine SCHEMBL29599870 0.89 KDM4E (1.00) KDM4EALDH1A1HPGDDRD2MAPT
Apomorphine SCHEMBL1923763 0.89 KDM4E (1.00) KDM4EALDH1A1HPGDDRD2MAPT
Apomorphine SCHEMBL8541 0.89 KDM4E (1.00) KDM4EALDH1A1HPGDDRD2MAPT
Apomorphine SCHEMBL29414090 0.89 KDM4E (1.00) KDM4EALDH1A1HPGDDRD2MAPT
(S)Apomorphine SCHEMBL6922802 0.89 KDM4E (1.00) KDM4EALDH1A1HPGDDRD2MAPT
Apomorphine SCHEMBL5605456 0.89 KDM4E (1.00) KDM4EALDH1A1HPGDDRD2MAPT
Apomorphine SCHEMBL29358024 0.89 KDM4E (1.00) KDM4EALDH1A1HPGDDRD2MAPT
Apomorphine SCHEMBL5678746 0.88 KDM4E (0.97) KDM4EALDH1A1HPGDDRD2MAPT
(S)Apomorphine SCHEMBL19469972 0.88 KDM4E (1.00) KDM4EALDH1A1HPGDDRD2MAPT

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-2020081973-A1 TREATMENT OF NEUROLOGICAL DISEASES ACLIPSE ONE INC. (US) 2020-04-23 WO disclosed