SCHEMBL28972147

SCHEMBL28972147

COc1ccc2cc(C(C)CNc3nc4ccccc4[nH]3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
TP53 P04637 1/20 0.52
ALDH1A1 P00352 1/20 0.48
GAA P10253 2/20 0.47
BCHE P06276 1/20 0.47
TRPC3 Q13507 1/20 0.47
TRPC4 Q9UBN4 1/20 0.47
TRPC5 Q9UL62 1/20 0.47
ABCB11 O95342 1/20 0.47
MEN1 O00255 5/20 0.47
NPC1 O15118 5/20 0.47
KMT2A Q03164 5/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAPT P10636 4/20 0.47
PKM P14618 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RECQL P46063 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL30218936 1.00 RAB9A (0.52) RAB9ASMN1; SMN2TP53ALDH1A1GAA
SCHEMBL28972145 1.00 RAB9A (0.52) RAB9ASMN1; SMN2TP53ALDH1A1GAA
SCHEMBL28972118 0.76 FFAR2 (0.47) RAB9ASMN1; SMN2TP53BCHETRPC3
SCHEMBL989750 0.74 BCHE (0.60) RAB9ASMN1; SMN2TP53GAABCHE
SCHEMBL3541921 0.73 RAB9A (0.62) RAB9ASMN1; SMN2TP53ALDH1A1GAA
SCHEMBL28805360 0.73 RAB9A (0.72) RAB9ASMN1; SMN2TP53ALDH1A1GAA
SCHEMBL10642154 0.72 PKM (0.72) RAB9ASMN1; SMN2TP53ALDH1A1GAA
SCHEMBL30175772 0.72 BCHE (0.57) RAB9ASMN1; SMN2TP53ALDH1A1GAA
SCHEMBL28983300 0.72 BCHE (0.57) RAB9ASMN1; SMN2TP53ALDH1A1GAA
SCHEMBL28983301 0.72 BCHE (0.57) RAB9ASMN1; SMN2TP53ALDH1A1GAA

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-115667224-A SCL15A4 small molecule inhibitors with anti-inflammatory activity 斯克里普斯研究学院 2023-01-31 CN disclosed