SCHEMBL22272502

SCHEMBL22272502

COC(=O)c1cc2cc(NC(=O)c3cc4cc(N)ccc4s3)ccc2s1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
CHRNA7 P36544 1/20 0.47
PDGFRB P09619 3/20 0.46
KDR P35968 3/20 0.46
FLT3 P36888 1/20 0.44
PTPN2 P17706 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PLAU P00749 1/20 0.42
CLK1 P49759 1/20 0.42
RAF1 P04049 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL100069 0.88 MAPT (0.52) HDAC1MEN1MAPTKMT2ACHRNA7
SCHEMBL22272764 0.87 PDGFRB (0.49) HDAC1MEN1MAPTKMT2ACHRNA7
SCHEMBL22272704 0.87 PDGFRB (0.53) HDAC1MEN1MAPTKMT2APDGFRB
SCHEMBL18574511 0.82 MEN1 (0.47) HDAC1MEN1MAPTKMT2APDGFRB
SCHEMBL22718726 0.81 HDAC1 (0.60) HDAC1MEN1MAPTKMT2ALMNA
SCHEMBL15697566 0.81 MAPT (0.58) HDAC1MEN1MAPTKMT2APTPN2
SCHEMBL15697561 0.81 HDAC1 (0.74) HDAC1MEN1MAPTKMT2APDGFRB
Hydrochloric Acid SCHEMBL20239294 0.81 MEN1 (0.46) HDAC1MEN1MAPTKMT2APDGFRB
SCHEMBL12501405 0.81 MEN1 (0.55) HDAC1MEN1MAPTKMT2APDGFRB
SCHEMBL26725342 0.80 MEN1 (0.52) HDAC1MEN1MAPTKMT2APDGFRB

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-2020152462-A1 PYRROLOBENZODIAZEPINE DERIVATIVES AS INHIBITORS OF NF-KAPPA B FOR THE TREATMENT OF PROLIFERATIVE DISEASES KING'S COLLEGE LONDON (GB) 2020-07-30 WO disclosed