SCHEMBL29046318

SCHEMBL29046318

Cc1ccc(C(=O)NCCc2ccccc2)c(C)c1C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ HPGD P15428 2/20 0.58
▸ RAB9A P51151 10/20 0.57
▸ NPC1 O15118 9/20 0.57
▸ CNR1 P21554 1/20 0.54
▸ CNR2 P34972 1/20 0.54
▸ PTGS2 P35354 1/20 0.54
▸ POLB P06746 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL2228229 0.88 HPGD (0.67) SMN1; SMN2HPGDRAB9ANPC1CNR1
SCHEMBL6647000 0.85 SMN1; SMN2 (0.52) SMN1; SMN2HPGDRAB9ANPC1CNR1
SCHEMBL13162412 0.83 SMN1; SMN2 (0.82) SMN1; SMN2HPGDRAB9ANPC1CNR1
SCHEMBL27404315 0.79 POLB (0.53) SMN1; SMN2HPGDPOLBALDH1A1L3MBTL1
SCHEMBL14688250 0.77 HPGD (0.63) SMN1; SMN2HPGDRAB9ANPC1CNR1
SCHEMBL822668 0.76 RAB9A (0.62) SMN1; SMN2HPGDRAB9ANPC1ALDH1A1
SCHEMBL3796253 0.76 RAB9A (0.62) SMN1; SMN2HPGDRAB9ANPC1ALDH1A1
SCHEMBL16352053 0.76 RAB9A (0.62) SMN1; SMN2HPGDRAB9ANPC1ALDH1A1
SCHEMBL1849467 0.76 MAPT (0.79) SMN1; SMN2HPGDRAB9ANPC1ALDH1A1
SCHEMBL14823375 0.75 NPC1 (0.56) SMN1; SMN2HPGDRAB9ANPC1ALDH1A1

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-116529235-A Fungicidal aryl amidines 科迪华农业科技有限责任公司 2023-08-01 — — CN disclosed
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