SCHEMBL7866692

SCHEMBL7866692

CCCCSc1c(F)c(C#N)c(C#N)c(F)c1Oc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.37
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
AR P10275 2/20 0.34
MAPT P10636 4/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
STAT6 P42226 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
NMT2 O60551 3/20 0.33
NMT1 P30419 3/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32

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
SCHEMBL2454670 0.91 LTA4H (0.36) LTA4HALDH1A1SMN1; SMN2ARMAPT
SCHEMBL7866685 0.79 LTA4H (0.51) LTA4HALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL2451318 0.79 LTA4H (0.36) LTA4HALDH1A1SMN1; SMN2ARMAPT
SCHEMBL27603951 0.78 AR (0.38) LTA4HSMN1; SMN2ARMAPTKDM4E
SCHEMBL7861736 0.78 MAPT (0.39) ALDH1A1SMN1; SMN2ARMAPTKMT2A
SCHEMBL7103435 0.76 KMT2A (0.44) LTA4HALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL2455415 0.74 ADORA1 (0.36) ALDH1A1SMN1; SMN2ARMAPTKMT2A
SCHEMBL7106499 0.73 CA12 (0.49) LTA4HALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL2454814 0.72 AR (0.36) ALDH1A1SMN1; SMN2ARMAPTKMT2A
SCHEMBL7868322 0.72 CA12 (0.44) LTA4HALDH1A1SMN1; SMN2MAPTKMT2A

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