SCHEMBL28803791

SCHEMBL28803791

CCCCCCCCCCCCCCOc1ccc(Nc2c(N)cccc2N)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.51
▸ UNG P13051 2/20 0.49
▸ ADAMTS5 Q9UNA0 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NR5A1 Q13285 1/20 0.49
▸ FAAH O00519 6/20 0.48
▸ LTA4H P09960 2/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ CDC25B P30305 1/20 0.46
▸ ALOX15 P16050 1/20 0.45
▸ S1PR1 P21453 1/20 0.45
▸ S1PR3 Q99500 1/20 0.45

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
SCHEMBL11470886 0.82 NR5A1 (0.63) TSHRUNGNPC1RAB9ANR5A1
SCHEMBL8962079 0.82 NR5A1 (0.63) TSHRUNGNPC1RAB9ANR5A1
SCHEMBL1128464 0.82 NR5A1 (0.63) TSHRUNGNPC1RAB9ANR5A1
SCHEMBL8324472 0.81 NPC1 (0.64) TSHRUNGADAMTS5NPC1RAB9A
SCHEMBL24145746 0.80 LTA4H (0.64) TSHRUNGNPC1RAB9ANR5A1
SCHEMBL8962099 0.80 LTA4H (0.64) TSHRUNGNPC1RAB9ANR5A1
SCHEMBL8962156 0.80 LTA4H (0.64) TSHRUNGNPC1RAB9ANR5A1
SCHEMBL8962108 0.80 LTA4H (0.64) TSHRUNGNPC1RAB9ANR5A1
SCHEMBL8962153 0.80 LTA4H (0.64) TSHRUNGNPC1RAB9ANR5A1
SCHEMBL4398768 0.80 LTA4H (0.64) TSHRUNGNPC1RAB9ANR5A1

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
CN-102898407-A Fluorine-containing alicyclic dianhydride compound, preparation method thereof and application thereof CHINESE ACAD INST CHEMISTRY 2013-01-30 — — CN claimed
CN-102898407-B A kind of fluorine-containing alicyclic dianhydride compound and preparation method thereof and application INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-08-05 — — CN disclosed
CN-102898407-A Fluorine-containing alicyclic dianhydride compound, preparation method thereof and application thereof CHINESE ACAD INST CHEMISTRY 2013-01-30 — — CN disclosed
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