SCHEMBL30865845

SCHEMBL30865845

CCC(=O)Nc1cccc(OC(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
POLB P06746 2/20 0.56
NR4A1 P22736 1/20 0.56
GAA P10253 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.55
NLRP3 Q96P20 1/20 0.55
P2RX1 P51575 1/20 0.54
F2R P25116 1/20 0.54
PRMT5 O14744 1/20 0.54
WDR77 Q9BQA1 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL26623324 1.00 MTNR1A (0.57) MTNR1AMTNR1BRAB9ANPC1POLB
SCHEMBL9842887 0.89 F2R (0.68) MTNR1AMTNR1BRAB9ANPC1GAA
SCHEMBL17680553 0.87 POLB (0.58) MTNR1AMTNR1BRAB9APOLBNR4A1
SCHEMBL9429773 0.87 NPC1 (0.55) RAB9ANPC1POLBGAAALDH1A1
SCHEMBL10294097 0.87 MTNR1B (0.58) MTNR1AMTNR1BRAB9APOLBNR4A1
SCHEMBL23060408 0.86 F2R (0.59) MTNR1AMTNR1BRAB9ANPC1ALDH1A1
SCHEMBL26623397 0.85 HDAC3 (0.60) MTNR1BRAB9ANPC1GAAALDH1A1
SCHEMBL8605571 0.85 NPC1 (0.53) RAB9ANPC1POLBGAAALDH1A1
Hydrochloric Acid SCHEMBL20568958 0.84 ALDH1A1 (0.54) RAB9ANPC1POLBGAAALDH1A1
SCHEMBL13170081 0.83 L3MBTL1 (0.64) MTNR1AMTNR1BRAB9ANPC1POLB

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-117917402-A Isoindolylamide compound, and pharmaceutical composition and application thereof 暨南大学 2024-04-23 CN disclosed