SCHEMBL3255334

SCHEMBL3255334

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(NCS(=O)(=O)c4ccccc4)cc3c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
PARP1 P09874 2/20 0.34
CSF1R P07333 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
SCHEMBL3255483 0.89 BRD4 (0.50) BRD4THRBPOLBMEN1KMT2A
SCHEMBL3247548 0.87 GABRA1 (0.41) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3249789 0.84 BRD4 (0.53) BRD4THRBKDM4EPOLBMEN1
SCHEMBL3254540 0.84 MMP2 (0.46) BRD4KDM4EPOLBMEN1KMT2A
SCHEMBL3253968 0.83 PKM (0.49) THRBKDM4EPOLBLMNAMEN1
SCHEMBL3243057 0.83 CHEK1 (0.37) BRD4KDM4EPOLBLMNAMEN1
SCHEMBL3249852 0.83 BRD4 (0.52) BRD4MEN1KMT2ATP53MAPT
SCHEMBL3264336 0.83 HIF1A (0.47) BRD4THRBPOLBLMNAMEN1
SCHEMBL3249374 0.82 CHEK1 (0.47) BRD4KDM4ELMNAMEN1KMT2A
SCHEMBL3255978 0.82 FEN1 (0.39) CSF1RLIMK1LIMK2KDM4EPOLB

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