SCHEMBL7861764

SCHEMBL7861764

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 3/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.34
CYP2D6 P10635 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 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
SCHEMBL7870116 0.91 TSHR (0.45) KMT2APOLBALDH1A1TSHRKDM4E
SCHEMBL7869311 0.86 TSHR (0.42) POLBALDH1A1TSHRKDM4ECYP1A2
SCHEMBL7870114 0.80 MEN1 (0.41) KMT2APOLBALDH1A1KDM4ECYP1A2
SCHEMBL7866695 0.79 TSHR (0.46) KMT2APOLBALDH1A1TSHRKDM4E
SCHEMBL7869301 0.79 TSHR (0.43) KMT2APOLBALDH1A1TSHRKDM4E
SCHEMBL8163300 0.78 KDM4E (0.38) KMT2APOLBALDH1A1KDM4ECYP1A2
SCHEMBL7870153 0.78 KDM4E (0.38) KMT2APOLBALDH1A1TSHRKDM4E
SCHEMBL7866655 0.78 TSHR (0.43) KMT2AALDH1A1TSHRKDM4ECYP1A2
SCHEMBL7870109 0.76 AR (0.45) POLBALDH1A1TSHRKDM4ECYP2C9
SCHEMBL7866670 0.76 TSHR (0.45) KMT2AALDH1A1TSHRKDM4ENPSR1

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