SCHEMBL3367984

SCHEMBL3367984

Cc1sc(-c2ncc(C#N)c(C)c2O)nc1CC(=O)NCCCn1ccnc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 7/20 0.67
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ NAMPT P43490 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ POLB P06746 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL3368683 0.81 EGLN1 (1.00) EGLN1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3371492 0.72 EGLN1 (0.64) EGLN1L3MBTL1NAMPTPKMSMN1; SMN2
SCHEMBL3370079 0.70 EGLN1 (1.00) EGLN1ALDH1A1MEN1KMT2APOLB
SCHEMBL3368198 0.66 EGLN1 (1.00) EGLN1
SCHEMBL3370372 0.66 EGLN1 (1.00) EGLN1
SCHEMBL3368312 0.65 EGLN1 (0.77) EGLN1ALDH1A1
SCHEMBL10854541 0.64 QPCT (0.65) L3MBTL1NAMPTALDH1A1CYP19A1MEN1
SCHEMBL3367974 0.64 EGLN1 (1.00) EGLN1
SCHEMBL13472650 0.63 KDM4E (0.67) L3MBTL1ALDH1A1MEN1KMT2AGAA
SCHEMBL10819292 0.62 SMN1; SMN2 (0.71) L3MBTL1NAMPTALDH1A1MEN1KMT2A

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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