SCHEMBL9160975

SCHEMBL9160975

CC(C)(CCl)C(=O)NCc1ccc(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.52
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
P2RX7 Q99572 3/20 0.45
EPHX2 P34913 3/20 0.44
NR1H4 Q96RI1 2/20 0.44
BDKRB1 P46663 4/20 0.42
MAOB P27338 1/20 0.42
NNMT P40261 1/20 0.41
LMNA P02545 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL29912736 0.87 RIPK1 (0.69) RIPK1HTTALDH1A1L3MBTL1P2RX7
SCHEMBL17882323 0.87 RIPK1 (0.69) RIPK1HTTALDH1A1L3MBTL1P2RX7
SCHEMBL4243583 0.80 P2RX7 (0.47) RIPK1MEN1KMT2AP2RX7EPHX2
SCHEMBL4032263 0.77 P2RX7 (0.53) MEN1MAPTKMT2AP2RX7MAOB
SCHEMBL5315312 0.77 P2RX7 (0.52) RIPK1MEN1KMT2AP2RX7EPHX2
SCHEMBL9360380 0.77 HTT (0.55) HTTMEN1ALDH1A1MAPTKMT2A
SCHEMBL12791296 0.75 P2RX7 (0.46) RIPK1MEN1KMT2AP2RX7EPHX2
SCHEMBL3568253 0.75 P2RX7 (0.53) MEN1ALDH1A1KMT2AP2RX7EPHX2
SCHEMBL23482150 0.74 P2RX7 (0.56) RIPK1MEN1KMT2AP2RX7MAOB
SCHEMBL18887627 0.74 P2RX7 (0.50) P2RX7BDKRB1MAOBHDAC1HDAC6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0401166-B1 Nitrogen-containing titanocenes and their use CIBA GEIGY AG (CH) 1995-02-22 EP disclosed
US-5068371-A Photoinitiators for polymerization CIBA-GEIGY CORPORATION (US) 1991-11-26 US disclosed
EP-0401166-A2 Nitrogen-containing titanocenes and their use CIBA-GEIGY AG (CH) 1990-12-05 EP disclosed