SCHEMBL7870119

SCHEMBL7870119

Cc1cccc(Sc2c(F)c(C#N)c(C#N)c(F)c2Sc2cccc(C)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
AR P10275 5/20 0.40
ALDH1A1 P00352 1/20 0.38
ACHE P22303 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.35
GFER P55789 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
IDO1 P14902 1/20 0.34
HTR1A P08908 1/20 0.34
HTR3A P46098 1/20 0.34
CXCR2 P25025 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAOA P21397 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
SCHEMBL7870102 0.80 L3MBTL1 (0.42) L3MBTL1KDM4EMAPTARALDH1A1
SCHEMBL7106251 0.79 MAOA (0.48) L3MBTL1KDM4EMAPTALDH1A1HPGD
SCHEMBL1154616 0.78 L3MBTL1 (0.44) L3MBTL1KDM4EMAPTARALDH1A1
SCHEMBL7873574 0.76 AR (0.44) L3MBTL1KDM4EARALDH1A1ACHE
SCHEMBL7868411 0.74 HAO1 (0.39) ARALDH1A1SMN1; SMN2HPGDHTR1A
SCHEMBL7869250 0.73 CA12 (0.49) L3MBTL1KDM4EMAPTALDH1A1HPGD
SCHEMBL29468631 0.72 ACHE (0.58) L3MBTL1KDM4EMAPTALDH1A1ACHE
SCHEMBL29543680 0.72 ACHE (0.58) L3MBTL1KDM4EMAPTALDH1A1ACHE
SCHEMBL575896 0.72 ACHE (0.58) L3MBTL1KDM4EMAPTALDH1A1ACHE
SCHEMBL8641894 0.72 KDM4E (0.44) L3MBTL1KDM4EMAPTARALDH1A1

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