SCHEMBL8353285

SCHEMBL8353285

COc1ccc2c(O)nc(-c3cccc(N(C)C)c3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
HSD17B2 P37059 2/20 0.41
HSD17B1 P14061 1/20 0.41
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL12335705 0.86 ACP1 (0.44) ACP1MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL8351874 0.86 APP (0.48) ACP1KDM4EALDH1A1NPC1RAB9A
SCHEMBL1536661 0.85 ACP1 (0.43) ACP1MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL1536561 0.85 ACP1 (0.43) ACP1MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL12336056 0.83 HSD17B14 (0.40) ACP1KDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL8272309 0.83 NPC1 (0.57) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL8349901 0.82 MEN1 (0.47) MTNR1AMTNR1BKDM4ESMN1; SMN2ALDH1A1
SCHEMBL13409378 0.81 MAPT (0.46) ACP1MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL8352665 0.77 NPC1 (0.64) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL8353207 0.76 RAB9A (0.40) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A

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-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed