SCHEMBL10992183

SCHEMBL10992183

CNC(=N)NC(=O)Cc1ccccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.48
SIGMAR1 Q99720 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
ANO1 Q5XXA6 2/20 0.44
CSF1R P07333 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT3 P36888 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 1/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL10974092 0.86 POLQ (0.46) POLQSIGMAR1HDAC1HDAC8ANO1
SCHEMBL10973368 0.85 POLQ (0.45) POLQSIGMAR1HDAC1HDAC8ANO1
SCHEMBL8568288 0.85 POLQ (0.55) POLQSIGMAR1HDAC1HDAC8ANO1
SCHEMBL10931655 0.84 ALDH1A1 (0.46) POLQSIGMAR1HDAC1HDAC8ANO1
SCHEMBL10995737 0.83 ALDH1A1 (0.47) POLQSIGMAR1HDAC1HDAC8ANO1
SCHEMBL19751892 0.82 POLQ (0.52) POLQSIGMAR1HDAC1HDAC8ANO1
SCHEMBL10931630 0.80 SIGMAR1 (0.41) POLQSIGMAR1HDAC1HDAC8ANO1
SCHEMBL10993899 0.79 NPC1 (0.47) ALDH1A1HPGDGAASMN1; SMN2HTT
SCHEMBL10997197 0.78 GLS (0.57) ALDH1A1HTTKMT2AKCNJ5KCNJ3
SCHEMBL29907879 0.77 POLQ (0.53) POLQSIGMAR1HDAC1HDAC8ANO1

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-4544670-A ANTIPROTOZOA AGENTS, GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS WILLIAM H. RORER, INC. (US) 1985-10-01 US disclosed