SCHEMBL11266816

SCHEMBL11266816

C=C(c1ncc[nH]1)c1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
CSNK1A1 P48729 1/20 0.41
TYRO3 Q06418 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
MTOR P42345 1/20 0.39
ADK P55263 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
GLA P06280 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HMGB1 P09429 1/20 0.34
CA4 P22748 1/20 0.34

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
SCHEMBL697291 0.81 KMT2A (0.46) KMT2ACSNK1A1TYRO3DYRK1BMTOR
SCHEMBL698757 0.78 KMT2A (0.43) KMT2ACSNK1A1TYRO3DYRK1BMTOR
SCHEMBL697904 0.77 KMT2A (0.42) KMT2ACSNK1A1TYRO3DYRK1BMTOR
SCHEMBL11137294 0.77 NPC1 (0.42) KMT2ACSNK1A1TYRO3DYRK1BMTOR
SCHEMBL697784 0.77 MTOR (0.47) KMT2ACSNK1A1TYRO3DYRK1BMTOR
SCHEMBL696873 0.76 KMT2A (0.55) KMT2ACSNK1A1TYRO3DYRK1BSMN1; SMN2
SCHEMBL697619 0.76 KMT2A (0.41) KMT2ACSNK1A1TYRO3DYRK1BMTOR
SCHEMBL698900 0.73 KMT2A (0.46) KMT2ACSNK1A1TYRO3DYRK1BNISCH
SCHEMBL698190 0.73 KMT2A (0.52) KMT2ACSNK1A1TYRO3DYRK1BNISCH
SCHEMBL703857 0.73 KMT2A (0.39) KMT2ACSNK1A1TYRO3DYRK1BMTOR

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
EP-0066144-A2 Benzylazole derivatives SHIONOGI & CO., LTD. (JP) 1982-12-08 EP disclosed