SCHEMBL18218278

SCHEMBL18218278

CCn1c(O)c(N=Nc2cc(C)c(S(=O)(=O)O)cc2S)c(C)c(CS(=O)(=O)O)c1=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ MPL P40238 1/20 0.30

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
SCHEMBL18218247 0.91 BRD4 (0.36) BRD4TP53CREBBPPOLBMAPT
SCHEMBL18218226 0.89 BRD4 (0.38) BRD4TP53CREBBPPOLBMAPT
SCHEMBL14380145 0.82 MPL (0.40) POLBMAPTMAPK1ATMMPL
SCHEMBL14445563 0.82 MPL (0.40) POLBMAPTMAPK1ATMMPL
SCHEMBL14493365 0.81 BRD4 (0.35) BRD4TP53CREBBPPOLBMAPT
SCHEMBL8636714 0.80 ATIC (0.35) BRD4TP53CREBBPPOLBMAPT
SCHEMBL12646668 0.79 MAPT (0.33) POLBMAPTMAPK1ATMMPL
SCHEMBL16429447 0.78 MAPT (0.36) POLBMAPTMAPK1ATM
SCHEMBL17856432 0.75 CA12 (0.44) POLBMAPTMAPK1ATM
SCHEMBL18218228 0.73 BRD4 (0.37) BRD4TP53CREBBPPOLBMAPT

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-3091056-A1 HIGH FIXATION INK COMPOSITION FOR DIGITAL TEXTILE PRINTING Everlight Chemical Industrial Corporation (TW) 2016-11-09 — — EP disclosed
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