SCHEMBL9807553

SCHEMBL9807553

CC(=O)Nc1c(C)c(F)c(N)c(F)c1F

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.34
HDAC1 Q13547 2/20 0.33
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
HPGD P15428 1/20 0.30
PTPRB P23467 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTT P42858 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
SCHEMBL5606616 0.75 MEN1 (0.37) ALDH1A1POLBTDP1LMNAMEN1
SCHEMBL1726079 0.74 GAA (0.45) POLBHDAC1TDP1LMNAMEN1
SCHEMBL16451266 0.74 MEN1 (0.40) ALDH1A1TDP1MEN1KMT2AHTT
SCHEMBL15942900 0.73 ALDH1A1 (0.46) ALDH1A1POLBTDP1LMNAHPGD
SCHEMBL1445865 0.73 ALDH1A1 (0.42) ALDH1A1POLBTDP1LMNAHPGD
SCHEMBL31403417 0.70 GAA (0.38) ALDH1A1POLBTDP1LMNAMEN1
SCHEMBL28246325 0.69 HSD17B10 (0.33) ALDH1A1LMNAKMT2AHPGDHSD17B10
SCHEMBL20051703 0.69 HDAC1 (0.40) ALDH1A1POLBHDAC1LMNA
SCHEMBL4852281 0.68
SCHEMBL5465398 0.67 MEN1 (0.37) ALDH1A1POLBHDAC1LMNAMEN1

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-5067967-A Nitro dyes for oxidation color dyes 501 HANS SCHWARZKOPF GMBH (DE) 1991-11-26 US disclosed