SCHEMBL9560160

SCHEMBL9560160

O=C(C=Cc1ccc2c(c1)OCO2)Nc1nnn[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.60
SMN1; SMN2 Q16637 11/20 0.60
ALDH1A1 P00352 10/20 0.60
NPC1 O15118 9/20 0.60
HPGD P15428 6/20 0.60
KDM4E B2RXH2 13/20 0.59
MAPT P10636 6/20 0.59
PKM P14618 1/20 0.59
LMNA P02545 4/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HCAR2 Q8TDS4 1/20 0.54
MAOB P27338 1/20 0.53

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
SCHEMBL12892199 0.78 PYGL (0.53) RAB9ANPC1HPGDMAPTPKM
SCHEMBL109258 0.77 MAPT (0.81) RAB9ASMN1; SMN2ALDH1A1NPC1HPGD
SCHEMBL9756976 0.76 JUN (0.49) RAB9ASMN1; SMN2ALDH1A1NPC1HPGD
SCHEMBL14882065 0.76 HDAC6 (0.81) RAB9ASMN1; SMN2ALDH1A1NPC1HPGD
SCHEMBL14882066 0.76 HDAC6 (0.81) RAB9ASMN1; SMN2ALDH1A1NPC1HPGD
SCHEMBL9911665 0.75 KDM4E (0.77) RAB9ASMN1; SMN2ALDH1A1NPC1HPGD
SCHEMBL11491145 0.74 MAOB (0.65) RAB9ASMN1; SMN2ALDH1A1NPC1HPGD
SCHEMBL11491143 0.74 MAOB (0.65) RAB9ASMN1; SMN2ALDH1A1NPC1HPGD
SCHEMBL12809923 0.74 KDM4E (0.69) RAB9ASMN1; SMN2ALDH1A1NPC1HPGD
SCHEMBL22510789 0.74 KDM4E (0.79) RAB9ASMN1; SMN2ALDH1A1NPC1HPGD

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
JP-5255320-A None JP disclosed
JP-H05255320-A ALKENAMIDE DERIVATIVE AND ANTIALLERGIC AGENT, ALKENOIC ACID, AND ITS PRODUCTION SHISEIDO CO LTD 1993-10-05 JP disclosed