SCHEMBL29506380

SCHEMBL29506380

Cc1cc(C)cc(C(=O)Nc2ccc(Cl)nc2Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.63
▸ KMT2A Q03164 3/20 0.50
▸ RAB9A P51151 7/20 0.44
▸ NPC1 O15118 6/20 0.44
▸ TAS1R3 Q7RTX0 2/20 0.44
▸ TAS1R1 Q7RTX1 2/20 0.44
▸ TAS1R2 Q8TE23 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ KDR P35968 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ MAPT P10636 1/20 0.41

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
SCHEMBL20985210 1.00 POLB (0.63) POLBKMT2ARAB9ANPC1TAS1R3
SCHEMBL14693968 0.87 KMT2A (0.67) POLBKMT2ARAB9ANPC1MEN1
SCHEMBL14693827 0.86 RAB9A (0.56) POLBKMT2ARAB9ANPC1TAS1R3
SCHEMBL14486908 0.82 TAS1R3 (0.54) POLBKMT2ARAB9ANPC1TAS1R3
SCHEMBL14693909 0.80 RAB9A (0.60) POLBKMT2ARAB9ANPC1MEN1
SCHEMBL12750400 0.80 KCNQ3 (0.54) POLBKMT2ARAB9ANPC1MEN1
SCHEMBL14693923 0.78 GRM5 (0.65) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL14693774 0.77 KCNQ3 (0.57) KMT2ARAB9ANPC1MEN1ALDH1A1
SCHEMBL14693921 0.77 MAPT (0.56) POLBKMT2ARAB9ANPC1MEN1
SCHEMBL3645280 0.77 ALDH1A1 (0.38) POLBKMT2ARAB9ANPC1MEN1

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-109796499-B Metal complexes of azabenzothiazoles containing nitrogen 北京夏禾科技有限公司 2022-03-11 — — CN disclosed
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