SCHEMBL4970559

SCHEMBL4970559

CCC1CCCCN1ON=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 4/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MCOLN3 Q8TDD5 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
SCHEMBL4461975 0.76 MAPK1 (0.40) TP53TSHRKMT2APSEN1PSEN2
SCHEMBL3836641 0.75 KMT2A (0.38) TP53TSHRKMT2APSEN1PSEN2
SCHEMBL28284568 0.75 KMT2A (0.38) TP53TSHRKMT2APSEN1PSEN2
SCHEMBL7704576 0.73 MAPT (0.38) TP53TSHRKMT2ANPC1RAB9A
SCHEMBL2344726 0.71 KMT2A (0.38) TP53TSHRKMT2APSEN1PSEN2
SCHEMBL27772509 0.70
SCHEMBL27746516 0.69 MAPT (0.36) TP53TSHRKMT2ANPC1RAB9A
SCHEMBL11285913 0.69 MAPT (0.36) TP53TSHRKMT2APSEN1PSEN2
SCHEMBL28260453 0.68 KMT2A (0.32) TP53TSHRKMT2AMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL28776637 0.68 MAPT (0.35) TP53TSHRKMT2ANPC1RAB9A

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
EP-1971618-A2 MODULATORS OF HYPOXIA INDUCIBLE FACTOR-1 AND RELATED USES BTG INTERNATIONAL LIMITED (GB) 2008-09-24 EP disclosed
WO-2007081835-A2 MODULATORS OF HYPOXIA INDUCIBLE FACTOR-1 AND RELATED USES BTG INTERNATIONAL LIMITED (GB) 2007-07-19 WO disclosed