SCHEMBL9712169

SCHEMBL9712169

FC(F)(F)c1cccc(N2CCC=N2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.56
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
ALDH1A1 P00352 5/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR1D P28221 1/20 0.50
HTR2C P28335 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
MAPT P10636 8/20 0.49
THRB P10828 1/20 0.49
GAA P10253 4/20 0.46
GFER P55789 1/20 0.46
NOTUM Q6P988 4/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL24527435 0.80 ACHE (0.44) PTGS2ALDH1A1NOTUMKDM4ETSHR
SCHEMBL8746704 0.75 ADRB1 (0.46) ALOX5ALDH1A1MAPTGAATSHR
SCHEMBL28226906 0.73 ALDH1A1 (0.77) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL6304342 0.73 TP53 (0.48) ALOX5PTGS1PTGS2HTR3EHTR3B
SCHEMBL44773 0.73 TP53 (0.48) ALOX5PTGS1PTGS2HTR3EHTR3B
SCHEMBL4076837 0.72 ALDH1A1 (0.59) ALOX5PTGS1PTGS2ALDH1A1HTR3E
Bw-755C SCHEMBL2573191 0.72 ALOX5 (1.00) ALOX5PTGS1PTGS2ALDH1A1HTR3E
Bw-755C SCHEMBL30088397 0.72 ALOX5 (1.00) ALOX5PTGS1PTGS2ALDH1A1HTR3E
SCHEMBL4069047 0.71 ALDH1A1 (0.68) ALDH1A1HTR3EHTR3BHTR1DHTR2C
Bw-755C SCHEMBL1040411 0.71 ALOX5 (0.97) ALOX5PTGS1PTGS2ALDH1A1HTR3E

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
WO-1992019572-A2 I-AZA-2-PHENYLHYDRORAZINO-HETEROCYCLES, PROCESS FOR PRODUCING THEM AND PHARMACEUTICALS CONTAINING THEM ARZNEIMITTELWERK DRESDEN GMBH (DE) 1992-11-12 WO disclosed