SCHEMBL7870170

SCHEMBL7870170

N#Cc1c(F)c(F)c(Oc2ccc(-c3ccccc3)cc2)c(F)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
CRHBP P24387 1/20 0.40
RAB9A P51151 1/20 0.40
CRHR2 Q13324 1/20 0.40
ADORA1 P30542 5/20 0.38
ADORA2A P29274 3/20 0.38
HPGD P15428 4/20 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
SCHEMBL7106499 0.90 CA12 (0.49) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL29582037 0.88 MEN1 (0.39) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL3194044 0.84 CA12 (0.50) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL7868417 0.83 CYP1A2 (0.45) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL7103435 0.83 KMT2A (0.44) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL23417739 0.81 CA12 (0.44) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL7873493 0.80 L3MBTL1 (0.42) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL7870128 0.80 ALDH1A1 (0.43) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL7870167 0.78 AR (0.45) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL7868322 0.78 CA12 (0.44) MEN1KMT2AALDH1A1CYP1A2CYP2C9

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