SCHEMBL3893589

SCHEMBL3893589

COC(=O)c1ccc(Oc2c(F)c(F)c(C#N)c(C#N)c2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
KMT2A Q03164 3/20 0.45
MAPT P10636 5/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
STS P08842 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MEN1 O00255 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL3890855 0.85 CA12 (0.44) ALDH1A1KDM4ESMN1; SMN2CA1CA2
SCHEMBL3894365 0.82 LMNA (0.50) ALDH1A1SMN1; SMN2KMT2AMAPTHPGD
SCHEMBL2456495 0.82 CYP11B1 (0.41) ALDH1A1CA1CA2KMT2AMAPT
SCHEMBL2456368 0.81 USP2 (0.40) ALDH1A1KDM4ECA1CA2KMT2A
SCHEMBL23391008 0.80 HSD17B10 (0.42) ALDH1A1KDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL8420762 0.80 CA12 (0.46) ALDH1A1KDM4ESMN1; SMN2CA1CA2
SCHEMBL31324022 0.79 CA12 (0.43) ALDH1A1KDM4ESMN1; SMN2CA1CA2
SCHEMBL31324023 0.79 CA12 (0.43) ALDH1A1KDM4ESMN1; SMN2CA1CA2
SCHEMBL25187013 0.78 PRSS1 (0.46) ALDH1A1SMN1; SMN2KMT2AHPGDLMNA
SCHEMBL30413391 0.78 HPGD (0.51) CA1CA2KMT2AHPGDHTT

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
US-7473777-B2 Method for production of halogen-containing phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 2009-01-06 US disclosed
CN-1680380-A Method for production of halogen-containing phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2005-10-12 CN disclosed
US-20050203293-A1 Method for production of halogen-containing phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 2005-09-15 US disclosed