SCHEMBL3476076

SCHEMBL3476076

COc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.61
BRAF P15056 1/20 0.57
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 4/20 0.54
TP53 P04637 1/20 0.54
GAA P10253 1/20 0.54
MAPK1 P28482 1/20 0.54
LMNA P02545 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HTT P42858 1/20 0.53
RECQL P46063 1/20 0.53
EPHX2 P34913 1/20 0.53
ALDH1A1 P00352 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
BAZ1A Q9NRL2 1/20 0.51

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
SCHEMBL4247303 0.90 MEN1 (0.64) RAF1BRAFMEN1KMT2AMAPT
SCHEMBL4243486 0.90 RAF1 (0.61) RAF1BRAFMEN1KMT2AMAPT
SCHEMBL31440788 0.89 KMT2A (0.61) RAF1BRAFMEN1KMT2AMAPT
SCHEMBL5445313 0.89 RAF1 (0.60) RAF1BRAFMEN1KMT2AMAPT
SCHEMBL5456018 0.85 RAF1 (0.57) RAF1BRAFMEN1KMT2AMAPT
SCHEMBL16782003 0.85 MAPT (0.70) RAF1BRAFMEN1KMT2AMAPT
SCHEMBL8370028 0.85 GRIK1 (0.65) RAF1MEN1KMT2AMAPTLMNA
SCHEMBL8368359 0.84 MAPT (0.56) RAF1BRAFMEN1KMT2AMAPT
SCHEMBL4243355 0.83 MEN1 (0.55) RAF1BRAFMEN1KMT2AMAPT
SCHEMBL938321 0.83 RAF1 (0.74) RAF1BRAFMAPTALDH1A1

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
US-7838541-B2 Aryl ureas with angiogenesis inhibiting activity BAYER HEALTHCARE, LLC (US) 2010-11-23 US disclosed