SCHEMBL3247548

SCHEMBL3247548

CCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(NCS(=O)(=O)c4ccccc4)cc3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
GABRB2 P47870 3/20 0.41
GABRB1 P18505 2/20 0.41
GABRA3 P34903 2/20 0.41
KDM4E B2RXH2 1/20 0.40
CLEC4M Q9H2X3 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39

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
SCHEMBL3242734 0.88 BRD4 (0.41) KDM4ECA12CA9KMT2AMEN1
SCHEMBL3255461 0.88 BRD4 (0.52) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL3255334 0.87 BRD4 (0.36) GABRA1GABRB2GABRB1GABRA3KDM4E
SCHEMBL3251557 0.82 BRD4 (0.55) GABRA1GABRB2GABRB1GABRA3KDM4E
SCHEMBL3253196 0.82 MMP2 (0.53) GABRA1GABRB2GABRB1GABRA3KDM4E
SCHEMBL13928204 0.82 MMP13 (0.51) GABRA1GABRB2GABRB1GABRA3KDM4E
SCHEMBL3254789 0.82 PKM (0.51) KDM4EKMT2AMEN1ALDH1A1LMNA
SCHEMBL3249074 0.82 GABRA1 (0.46) GABRA1GABRB2GABRB1GABRA3KDM4E
SCHEMBL13928203 0.82 BRD4 (0.53) GABRA1GABRB2GABRB1GABRA3KDM4E
SCHEMBL3246250 0.82 HIF1A (0.53) CLEC4MJAK2JAK3KMT2AMEN1

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-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed