SCHEMBL3366533

SCHEMBL3366533

N#Cc1cnc(-c2ncc(CC(=O)NCCc3cccc(C(F)(F)F)c3)c(=O)[nH]2)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 7/20 0.57
▸ VNN1 O95497 2/20 0.41
▸ GLA P06280 1/20 0.39
▸ DAO P14920 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TNF P01375 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NOD2 Q9HC29 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.36

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
SCHEMBL3371680 0.88 EGLN1 (0.67) EGLN1GLAKMT2A
SCHEMBL3368045 0.83 EGLN1 (0.65) EGLN1TRPV1
SCHEMBL3367694 0.81 EGLN1 (0.63) EGLN1RAB9AMEN1KMT2A
SCHEMBL3366064 0.79 EGLN1 (0.63) EGLN1VNN1LMNAMEN1KMT2A
SCHEMBL3371453 0.79 EGLN1 (0.68) EGLN1TRPV1
SCHEMBL3367971 0.77 EGLN1 (0.78) EGLN1
SCHEMBL3368645 0.76 EGLN1 (0.67) EGLN1VNN1
SCHEMBL3366469 0.76 EGLN1 (0.72) EGLN1LMNA
SCHEMBL3370116 0.74 EGLN1 (0.72) EGLN1PARP1
SCHEMBL3371822 0.73 EGLN1 (0.78) EGLN1VNN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 — — WO claimed
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 — — WO disclosed
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