SCHEMBL7870109

SCHEMBL7870109

COc1cccc(OC)c1Oc1c(F)c(F)c(C#N)c(C#N)c1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.45
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SQOR Q9Y6N5 1/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.36
KDM4E B2RXH2 3/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ACMSD Q8TDX5 1/20 0.35
POLB P06746 1/20 0.35
HPGDS O60760 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
SCHEMBL7870097 0.80 AR (0.42) ARMAPTLMNASMN1; SMN2TSHR
SCHEMBL7870116 0.79 TSHR (0.45) RAB9AMAPTLMNATSHRKDM4E
SCHEMBL7870153 0.79 KDM4E (0.38) ARNPC1MAPTLMNACYP2C9
SCHEMBL3619566 0.78 TRPV4 (0.31)
SCHEMBL7861721 0.77 AR (0.43) ARNPC1RAB9AMAPTLMNA
SCHEMBL7861699 0.77 KDM4E (0.36) MAPTCYP2C9KDM4ECRHBPCRHR2
SCHEMBL7873576 0.77 MAPT (0.46) ARMAPTLMNATSHRKDM4E
SCHEMBL13439997 0.76 TRPV4 (0.30)
SCHEMBL7861764 0.76 KMT2A (0.39) RAB9AMAPTLMNACYP2C9TSHR
SCHEMBL15257101 0.75 KDM4E (0.41) SQORMAPTLMNATSHRKDM4E

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