SCHEMBL3389201

SCHEMBL3389201

O=C(c1cc(Br)cc(Br)c1)N1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.68
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 5/20 0.58
TP53 P04637 1/20 0.56
HSD11B1 P28845 1/20 0.53
TSHR P16473 1/20 0.53
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL3 Q96JM7 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MBTD1 Q05BQ5 2/20 0.50
L3MBTL4 Q8NA19 2/20 0.50
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL3455576 0.98 HPGD (0.66) HPGDKDM4EALDH1A1TP53HSD11B1
SCHEMBL1495677 0.89 HPGD (0.60) HPGDKDM4EALDH1A1TP53HSD11B1
SCHEMBL18734483 0.86 HPGD (0.57) HPGDKDM4EALDH1A1TP53HSD11B1
SCHEMBL1495487 0.83 HPGD (0.54) HPGDKDM4EALDH1A1TP53TSHR
SCHEMBL3419895 0.82 L3MBTL1 (0.60) HPGDKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL265991 0.81 HPGD (1.00) HPGDALDH1A1TP53SMN1; SMN2L3MBTL3
SCHEMBL14486 0.81 ALDH1A1 (0.50) HPGDKDM4EALDH1A1TP53L3MBTL3
SCHEMBL1495813 0.81 SMN1; SMN2 (0.54) HPGDKDM4EALDH1A1TSHRGAA
SCHEMBL1361761 0.80 HPGD (0.56) HPGDKDM4EALDH1A1TP53HSD11B1
SCHEMBL29632673 0.80 HPGD (0.56) HPGDKDM4EALDH1A1HSD11B1TSHR

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
WO-2010052448-A2 FUSED PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-05-14 WO disclosed