SCHEMBL7869818

SCHEMBL7869818

N#Cc1ccc(F)c(Cl)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.41
CYP11B1 P15538 1/20 0.41
TRPV4 Q9HBA0 3/20 0.41
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KHK P50053 1/20 0.36
AR P10275 5/20 0.36
VCAM1 P19320 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7555568 0.84 ALDH1A1 (0.39) CYP11B2CYP11B1TRPV4MEN1ALDH1A1
SCHEMBL4592838 0.84 ALDH1A1 (0.42) CYP11B2CYP11B1TRPV4MEN1ALDH1A1
SCHEMBL3338599 0.83 AR (0.43) CYP11B2CYP11B1TRPV4MEN1ALDH1A1
Hydrochloric Acid SCHEMBL9790157 0.83 ALDH1A1 (0.37) CYP11B2CYP11B1TRPV4MEN1ALDH1A1
SCHEMBL1365376 0.82 AR (0.46) CYP11B2CYP11B1TRPV4ESR1ESR2
SCHEMBL2730532 0.80 CYP11B2 (0.42) CYP11B2CYP11B1TRPV4ESR1ESR2
SCHEMBL30424420 0.80 CYP11B2 (0.42) CYP11B2CYP11B1TRPV4ESR1ESR2
SCHEMBL15442788 0.79 TRPV4 (0.45) CYP11B2CYP11B1TRPV4ALDH1A1HPGD
SCHEMBL2555964 0.77 TRPV4 (0.43) CYP11B2TRPV4MEN1ALDH1A1HPGD
SCHEMBL7861734 0.77 TRPV4 (0.43) CYP11B2CYP11B1TRPV4ESR1ESR2

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