SCHEMBL25715073

SCHEMBL25715073

Cc1ncc(NC(=O)c2ccc3c(c2)OCCO3)cc1NC(=O)c1cc2ccccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.52
▸ NPC1 O15118 9/20 0.52
▸ PAX8 Q06710 1/20 0.52
▸ HSF1 Q00613 3/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ POLB P06746 2/20 0.51
▸ KDM4E B2RXH2 5/20 0.50
▸ MAPT P10636 4/20 0.50
▸ HTT P42858 1/20 0.50
▸ PKM P14618 2/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ MEN1 O00255 6/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ LMNA P02545 1/20 0.48

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
SCHEMBL30597751 0.86 HSF1 (0.64) RAB9ANPC1HSF1SMN1; SMN2POLB
SCHEMBL26111733 0.86 HSF1 (0.64) RAB9ANPC1HSF1SMN1; SMN2POLB
SCHEMBL25715808 0.84 RAB9A (0.53) RAB9ANPC1PAX8HSF1SMN1; SMN2
SCHEMBL30464286 0.84 RAB9A (0.53) RAB9ANPC1PAX8HSF1SMN1; SMN2
SCHEMBL30597799 0.83 HSF1 (0.60) RAB9ANPC1HSF1SMN1; SMN2POLB
SCHEMBL26136510 0.83 HSF1 (0.60) RAB9ANPC1HSF1SMN1; SMN2POLB
SCHEMBL30597718 0.83 MAPT (0.66) RAB9ANPC1SMN1; SMN2POLBKDM4E
SCHEMBL26110426 0.83 MAPT (0.66) RAB9ANPC1SMN1; SMN2POLBKDM4E
SCHEMBL26535608 0.83 MAOB (0.59) RAB9ANPC1SMN1; SMN2POLBKDM4E
SCHEMBL26535611 0.83 MAOB (0.59) RAB9ANPC1SMN1; SMN2POLBKDM4E

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
WO-2023111005-A1 CARBOXAMIDE SUBSTITUTED HETEROAROMATIC COMPOUNDS FOR TREATING CANCER WMT AG (DE) 2023-06-22 — — WO disclosed
Send feedback