SCHEMBL30575488

SCHEMBL30575488

CCCCOc1ccccc1C(=O)Nc1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.63
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
THRB P10828 1/20 0.58
NR1H4 Q96RI1 5/20 0.58
KCNK3 O14649 3/20 0.57
KCNK9 Q9NPC2 3/20 0.57
LMNA P02545 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
MAPT P10636 2/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 1/20 0.54
PPARA Q07869 1/20 0.53
GPR35 Q9HC97 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
SCHEMBL28656197 0.82 KMT2A (0.56) MEN1KMT2ATHRBNR1H4KCNK3
SCHEMBL29077341 0.80 SMN1; SMN2 (0.60) RAB9AMEN1KMT2ATHRBKCNK3
SCHEMBL18917587 0.79 DRD2 (0.59) RAB9AMEN1KMT2ALMNANPSR1
SCHEMBL29518968 0.79 DRD2 (0.59) RAB9AMEN1KMT2ALMNANPSR1
Bicarbonate SCHEMBL28775865 0.78 DRD2 (0.58) RAB9AMEN1KMT2ALMNANPSR1
SCHEMBL4909249 0.77 MAPT (0.57) RAB9AMEN1KMT2ATHRBKCNK3
SCHEMBL27901750 0.76 KMT2A (0.67) RAB9AMEN1KMT2ALMNANPSR1
SCHEMBL27534257 0.76 RXFP1 (0.57) RAB9AMEN1KMT2ATHRBKCNK3
Bromide SCHEMBL22323940 0.76 MLNR (0.81) RAB9AMEN1KMT2ANR1H4KCNK3
SCHEMBL8827735 0.76 NR1H4 (0.59) MEN1KMT2ANR1H4KCNK3KCNK9

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-112812077-B Benzamide compound, preparation method thereof, pharmaceutical composition and application 中国科学院上海药物研究所 2023-08-22 CN disclosed