SCHEMBL4949768

SCHEMBL4949768

CCCCCc1nnc(CCCCC)c(CCCCC)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.47
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KCNH2 Q12809 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ DNM1 Q05193 1/20 0.31
▸ CACNA2D1 P54289 1/20 0.31

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
SCHEMBL3664007 0.82 GPR84 (0.44) GPR84MEN1KMT2AKCNH2CYP1A2
SCHEMBL254525 0.82 GPR84 (0.44) GPR84MEN1KMT2AKCNH2CYP1A2
SCHEMBL14877441 0.82 GPR84 (0.44) GPR84MEN1KMT2AKCNH2CYP1A2
SCHEMBL10698786 0.81 GPR84 (0.34) GPR84MEN1KMT2AKCNH2ALDH1A1
SCHEMBL13978021 0.78 GPR84 (0.48) GPR84KCNH2CYP1A2CYP3A4ALDH1A1
SCHEMBL10816555 0.77 MEN1 (0.37) GPR84MEN1KMT2AKCNH2ALDH1A1
SCHEMBL10818337 0.77 KMT2A (0.37) GPR84MEN1KMT2AKCNH2ALDH1A1
SCHEMBL3662375 0.77 DHFR (0.45) MEN1KMT2AKCNH2ALDH1A1TDP1
SCHEMBL10815973 0.77 MEN1 (0.37) GPR84MEN1KMT2AKCNH2CYP3A4
SCHEMBL6463332 0.76 MEN1 (0.39) GPR84MEN1KMT2AKCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080229349-A1 Recordable optical data storage disc IMATION CORP. 2008-09-18 — — US disclosed
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