SCHEMBL30166714

SCHEMBL30166714

O=C(c1ccc(Cl)c(F)c1)c1ccc2nc(NC(=O)c3ccco3)sc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 18/20 0.67
▸ NPC1 O15118 16/20 0.67
▸ SMN1; SMN2 Q16637 6/20 0.67
▸ KDM4E B2RXH2 3/20 0.67
▸ CASP3 P42574 2/20 0.67
▸ SENP8 Q96LD8 2/20 0.67
▸ SENP7 Q9BQF6 2/20 0.67
▸ SENP6 Q9GZR1 2/20 0.67
▸ NFKB1 P19838 1/20 0.67
▸ NFKB2 Q00653 1/20 0.67
▸ RELA Q04206 1/20 0.67
▸ MAPT P10636 3/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ ALDH1A1 P00352 4/20 0.61
▸ TP53 P04637 2/20 0.61
▸ USP2 O75604 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ RXFP1 Q9HBX9 1/20 0.57
▸ POLB P06746 1/20 0.56

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
SCHEMBL28464792 1.00 RAB9A (0.67) RAB9ANPC1SMN1; SMN2KDM4ECASP3
SCHEMBL30166735 0.84 RAB9A (0.66) RAB9ANPC1SMN1; SMN2KDM4ECASP3
SCHEMBL28466144 0.84 RAB9A (0.66) RAB9ANPC1SMN1; SMN2KDM4ECASP3
SCHEMBL30166740 0.83 ADORA3 (0.62) RAB9ANPC1SMN1; SMN2KDM4ECASP3
SCHEMBL28470852 0.83 ADORA3 (0.62) RAB9ANPC1SMN1; SMN2KDM4ECASP3
SCHEMBL28466595 0.83 RAB9A (0.62) RAB9ANPC1SMN1; SMN2KDM4ECASP3
SCHEMBL30166702 0.83 RAB9A (0.62) RAB9ANPC1SMN1; SMN2KDM4ECASP3
SCHEMBL24729213 0.82 RAB9A (0.73) RAB9ANPC1SMN1; SMN2KDM4ECASP3
SCHEMBL28468653 0.82 RAB9A (0.64) RAB9ANPC1SMN1; SMN2KDM4ECASP3
SCHEMBL30166730 0.82 RAB9A (0.64) RAB9ANPC1SMN1; SMN2KDM4ECASP3

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-112812111-B Benzothiazole compound and medical application thereof 中国药科大学 2023-01-31 — — CN disclosed
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