SCHEMBL27631995

SCHEMBL27631995

c1ccc(-c2cccc3c2ccc2c4ccccc4ccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.64
TNF P01375 1/20 0.55
ALDH1A1 P00352 6/20 0.55
HSD17B10 Q99714 4/20 0.55
TDP1 Q9NUW8 3/20 0.55
TSHR P16473 2/20 0.55
CYP2A6 P11509 1/20 0.55
PAX8 Q06710 1/20 0.46
HPGD P15428 4/20 0.46
HIF1A Q16665 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP1B1 Q16678 1/20 0.46
THRB P10828 1/20 0.46
MAPT P10636 3/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 2/20 0.46

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
SCHEMBL443518 1.00 HPRT1 (0.64) HPRT1TNFALDH1A1HSD17B10TDP1
SCHEMBL27620091 0.98 HPRT1 (0.67) HPRT1TNFALDH1A1HSD17B10TDP1
SCHEMBL13505946 0.96 HPRT1 (0.58) HPRT1TNFALDH1A1HSD17B10TDP1
SCHEMBL2835699 0.93 HPRT1 (0.67) HPRT1TNFALDH1A1HSD17B10TDP1
SCHEMBL2592231 0.91 HPRT1 (0.58) HPRT1TNFALDH1A1HSD17B10TDP1
SCHEMBL2589946 0.91 HPRT1 (0.58) HPRT1TNFALDH1A1HSD17B10TDP1
SCHEMBL28589121 0.91 HPRT1 (0.58) HPRT1TNFALDH1A1HSD17B10TDP1
SCHEMBL30332725 0.91 HPRT1 (0.58) HPRT1TNFALDH1A1HSD17B10TDP1
SCHEMBL30332938 0.91 HPRT1 (0.64) HPRT1TNFALDH1A1HSD17B10TDP1
SCHEMBL27937443 0.91 TNF (0.59) HPRT1TNFALDH1A1HSD17B10TDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104876902-B 7-cyclohexylmethyl-5- (2' -amino) phenyl chrysin and preparation method and application thereof 大连理工大学 2017-06-27 CN claimed
CN-104876902-A 7-cyclohexane methyl-5- (2' -amino) phenyl chrysin and preparation method and application thereof UNIV DALIAN TECH 2015-09-02 CN claimed
CN-104876902-B 7-cyclohexylmethyl-5- (2' -amino) phenyl chrysin and preparation method and application thereof 大连理工大学 2017-06-27 CN disclosed
CN-104876902-B 7-cyclohexylmethyl-5- (2' -amino) phenyl chrysin and preparation method and application thereof 大连理工大学 2017-06-27 CN disclosed
CN-104876902-A 7-cyclohexane methyl-5- (2' -amino) phenyl chrysin and preparation method and application thereof UNIV DALIAN TECH 2015-09-02 CN disclosed
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN disclosed