SCHEMBL28925366

SCHEMBL28925366

CNc1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.63
ALDH1A1 P00352 2/20 0.59
AR P10275 5/20 0.58
RAB9A P51151 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
NPC1 O15118 4/20 0.58
HPGD P15428 1/20 0.58
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
PTGS1 P23219 1/20 0.55
SLC6A2 P23975 1/20 0.55
PTGS2 P35354 1/20 0.55
SLC6A3 Q01959 1/20 0.55
HIF1A Q16665 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
BCHE P06276 1/20 0.54
GAA P10253 2/20 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
SCHEMBL665518 0.95 APP (0.69) APPALDH1A1ARRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL17890756 0.93 APP (0.67) APPALDH1A1ARRAB9ASMN1; SMN2
SCHEMBL5538712 0.85 LMNA (0.72) APPRAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL11849334 0.83 LMNA (0.69) APPRAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL22198163 0.82 KMT2A (0.60) APPALDH1A1ARRAB9ASMN1; SMN2
SCHEMBL3686642 0.81 TSHR (0.59) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL11324524 0.80 LTA4H (0.74) RAB9ASMN1; SMN2CYP1A2CYP2C19LMNA
SCHEMBL8845456 0.80 LTA4H (0.63) APPRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL8736979 0.80 LMNA (0.60) ARRAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL891493 0.79 FFAR1 (0.69) APPRAB9ASMN1; SMN2CYP1A2CYP2C19

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-115536586-A Pyrazole amide compounds and preparation method and application thereof 华东理工大学 2022-12-30 CN disclosed