SCHEMBL7870116

SCHEMBL7870116

COCCOC(=O)c1cccc(OC)c1Oc1c(F)c(F)c(C#N)c(C#N)c1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.39
ADORA2A P29274 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RECQL P46063 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL7861764 0.91 KMT2A (0.39) TSHRPOLBKMT2AALDH1A1KDM4E
SCHEMBL7869311 0.91 TSHR (0.42) TSHRPOLBALDH1A1KDM4EADORA2A
SCHEMBL7866695 0.88 TSHR (0.46) TSHRPOLBKMT2AALDH1A1KDM4E
SCHEMBL7866670 0.85 TSHR (0.45) TSHRKMT2AALDH1A1KDM4EHPGD
SCHEMBL7866655 0.82 TSHR (0.43) TSHRKMT2AALDH1A1KDM4EADORA2A
SCHEMBL7870153 0.81 KDM4E (0.38) TSHRPOLBKMT2AALDH1A1KDM4E
SCHEMBL7870109 0.79 AR (0.45) TSHRPOLBALDH1A1KDM4ERAB9A
SCHEMBL7870114 0.78 MEN1 (0.41) POLBKMT2AALDH1A1KDM4ELMNA
SCHEMBL8163300 0.77 KDM4E (0.38) POLBKMT2AALDH1A1KDM4EHPGD
SCHEMBL7869301 0.77 TSHR (0.43) TSHRPOLBKMT2AALDH1A1KDM4E

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