SCHEMBL7873493

SCHEMBL7873493

N#Cc1c(F)c(F)c(Oc2ccc(Cl)cc2)c(F)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
AR P10275 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAOA P21397 1/20 0.37

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
SCHEMBL7868417 0.86 CYP1A2 (0.45) L3MBTL1ARALDH1A1HPGDMEN1
SCHEMBL7870128 0.83 ALDH1A1 (0.43) MAPK1ARALDH1A1HPGDMEN1
SCHEMBL7106499 0.82 CA12 (0.49) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL29582037 0.80 MEN1 (0.39) L3MBTL1ARALDH1A1HPGDMEN1
SCHEMBL7870170 0.80 MEN1 (0.41) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL25187732 0.78 KMT2A (0.46) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL7870106 0.78 SLC6A3 (0.43) HPGDFNTAFNTBMAPTLMNA
SCHEMBL19360435 0.77 MAOA (0.45) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL3619566 0.77 TRPV4 (0.31)
SCHEMBL3194044 0.77 CA12 (0.50) L3MBTL1ALDH1A1HPGDMEN1KMT2A

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-0882768-B1 Method for producing of phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2001-12-19 EP disclosed
US-6034236-A REACTING A PHTHALONITRILE WITH A METAL OXIDE IN PRESENCE OF A SULFONIC ACID CATALYST NIPPON SHOKUBAI CO., LTD. (JP) 2000-03-07 US disclosed
EP-0882768-A2 Method for producing of phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 1998-12-09 EP disclosed