SCHEMBL25715808

SCHEMBL25715808

Cc1cnc(NC(=O)c2ccc3c(c2)OCCO3)cc1NC(=O)c1cc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.53
▸ NPC1 O15118 9/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ POLB P06746 1/20 0.53
▸ PKM P14618 2/20 0.51
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ HSF1 Q00613 2/20 0.50
▸ PAX8 Q06710 1/20 0.50
▸ KDM4E B2RXH2 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ MAPT P10636 4/20 0.48
▸ PTGER3 P43115 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ TP53 P04637 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ MAPK11 Q15759 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
SCHEMBL30464286 1.00 RAB9A (0.53) RAB9ANPC1SMN1; SMN2POLBPKM
SCHEMBL26111733 0.84 HSF1 (0.64) RAB9ANPC1SMN1; SMN2POLBPKM
SCHEMBL30597751 0.84 HSF1 (0.64) RAB9ANPC1SMN1; SMN2POLBPKM
SCHEMBL25715073 0.84 RAB9A (0.52) RAB9ANPC1SMN1; SMN2POLBPKM
SCHEMBL26136510 0.81 HSF1 (0.60) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL30597799 0.81 HSF1 (0.60) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL30597718 0.79 MAPT (0.66) RAB9ANPC1SMN1; SMN2POLBPKM
SCHEMBL26110426 0.79 MAPT (0.66) RAB9ANPC1SMN1; SMN2POLBPKM
SCHEMBL30464298 0.78 HSF1 (0.73) RAB9ANPC1SMN1; SMN2POLBPKM
SCHEMBL25715824 0.78 HSF1 (0.73) RAB9ANPC1SMN1; SMN2POLBPKM

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
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