SCHEMBL11368286

SCHEMBL11368286

NC1=NN(c2cccc(CF)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.61
PTGS1 P23219 1/20 0.61
PTGS2 P35354 1/20 0.61
ABL1 P00519 1/20 0.51
MAPT P10636 7/20 0.36
GAA P10253 6/20 0.36
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AGXT P21549 3/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GFER P55789 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL908075 0.80 ALOX5 (0.66) ALOX5PTGS1PTGS2ABL1MAPT
SCHEMBL11558232 0.78 ALOX5 (0.50) ALOX5PTGS1PTGS2ABL1
SCHEMBL907934 0.76 ABL1 (0.64) ALOX5PTGS1PTGS2ABL1MAPT
SCHEMBL7719095 0.76 ALOX5 (0.61) ALOX5PTGS1PTGS2ABL1MAPT
SCHEMBL7721910 0.76 ALOX5 (0.61) ALOX5PTGS1PTGS2ABL1MAPT
SCHEMBL10739294 0.76 MAOB (0.52) ALOX5PTGS1PTGS2ABL1KDM4E
Bw-755C SCHEMBL2573191 0.76 ALOX5 (1.00) ALOX5PTGS1PTGS2ABL1MAPT
Bw-755C SCHEMBL1040411 0.75 ALOX5 (0.97) ALOX5PTGS1PTGS2ABL1MAPT
SCHEMBL7719905 0.75 ALOX5 (0.58) ALOX5PTGS1PTGS2ABL1MAPT
SCHEMBL7719890 0.74 ALOX5 (0.58) ALOX5PTGS1PTGS2ABL1MAPT

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-4268436-A OXIDATIVE DIAZOTIZATION WITH NITROSYLSULFURIC ACID, ALKALINE METAL NITRITES, OR ALKYL NITRITES AZIENDE COLORI NAZIONALI AFFINI ACNA S.P.A. (IT) 1981-05-19 US disclosed