SCHEMBL4417846

SCHEMBL4417846

O=C(NCc1ccccn1)c1ccno1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
HPGD P15428 5/20 0.63
SMN1; SMN2 Q16637 3/20 0.59
RAB9A P51151 3/20 0.56
KMT2A Q03164 2/20 0.56
MAPK1 P28482 1/20 0.56
POLB P06746 3/20 0.56
LMNA P02545 2/20 0.56
NPC1 O15118 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
HTT P42858 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALOX15 P16050 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 1/20 0.52
MAPK14 Q16539 1/20 0.52

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
SCHEMBL12195584 0.77 HPGD (1.00) ALDH1A1HPGDSMN1; SMN2RAB9AKMT2A
SCHEMBL166484 0.76 LMNA (0.82) ALDH1A1HPGDSMN1; SMN2RAB9AKMT2A
SCHEMBL8722201 0.76 SMN1; SMN2 (0.69) ALDH1A1HPGDSMN1; SMN2RAB9AKMT2A
SCHEMBL18415475 0.76 SMN1; SMN2 (1.00) ALDH1A1SMN1; SMN2RAB9AKMT2APOLB
SCHEMBL21065524 0.76 SMN1; SMN2 (0.79) ALDH1A1SMN1; SMN2RAB9AKMT2APOLB
SCHEMBL29460273 0.76 SMN1; SMN2 (0.79) ALDH1A1SMN1; SMN2RAB9AKMT2APOLB
SCHEMBL30522589 0.76 SMN1; SMN2 (1.00) ALDH1A1SMN1; SMN2RAB9AKMT2APOLB
SCHEMBL4411701 0.75 HSD17B10 (0.59) ALDH1A1SMN1; SMN2MAPK1POLBLMNA
Hydrochloric Acid SCHEMBL27843329 0.75 LMNA (0.80) ALDH1A1HPGDSMN1; SMN2RAB9AKMT2A
SCHEMBL18031536 0.75 LMNA (0.74) ALDH1A1HPGDSMN1; SMN2RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed