SCHEMBL25859488

SCHEMBL25859488

CC(C(=O)c1ccc2c(c1)OCO2)N(C)C(=O)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.50
NPC1 O15118 8/20 0.50
GAA P10253 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
PKM P14618 4/20 0.49
CTNNB1 P35222 3/20 0.48
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 1/20 0.47
PLIN1 O60240 1/20 0.47
LMNA P02545 1/20 0.47
PLIN5 Q00G26 1/20 0.47
KMT2A Q03164 1/20 0.47
ABHD5 Q8WTS1 1/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 2/20 0.47
WNT3A P56704 1/20 0.46
MITF O75030 1/20 0.45

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
SCHEMBL25859861 1.00 RAB9A (0.50) RAB9ANPC1GAAALDH1A1SMN1; SMN2
SCHEMBL25860110 1.00 RAB9A (0.50) RAB9ANPC1GAAALDH1A1SMN1; SMN2
SCHEMBL25859869 0.83 HPGD (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL25859487 0.83 HPGD (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL25860114 0.81 CASP3 (0.50) RAB9ANPC1GAAALDH1A1SMN1; SMN2
SCHEMBL25859863 0.81 CASP3 (0.50) RAB9ANPC1GAAALDH1A1SMN1; SMN2
SCHEMBL25859489 0.80 NPC1 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL25859862 0.80 NPC1 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL24883975 0.79 MAPK1 (0.56) RAB9ANPC1GAAALDH1A1SMN1; SMN2
SCHEMBL25306490 0.78 MEN1 (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2PKM

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-2023137453-A1 PRODRUGS OF 3,4-METHYLENEDIOXY-N-METHCATHINONE AND USES THEREOF TERRAN BIOSCIENCES INC. (US) 2023-07-20 WO disclosed