SCHEMBL12919366

SCHEMBL12919366

O=C(Nc1ccc(I)c(-c2ccccn2)c1)c1ccc(CN2CCOCC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.58
EPAS1 Q99814 5/20 0.58
KCNH2 Q12809 1/20 0.49
WNT3A P56704 5/20 0.46
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HPGDS O60760 1/20 0.44
CDK2 P24941 1/20 0.44
FLT3 P36888 1/20 0.44
CCNA1 P78396 1/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MTOR P42345 1/20 0.44
SCN9A Q15858 1/20 0.43

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
SCHEMBL26033240 0.90 HIF1A (0.58) HIF1AEPAS1KCNH2WNT3A
SCHEMBL1018345 0.90 KCNH2 (0.60) HIF1AEPAS1KCNH2KMT2ANPC1
SCHEMBL2619556 0.90 KIT (0.50) HIF1AEPAS1
SCHEMBL2619309 0.88 HIF1A (0.62) HIF1AEPAS1KMT2ANPC1RAB9A
SCHEMBL2619542 0.85 HPGDS (0.50) KCNH2WNT3AHPGDS
SCHEMBL12727154 0.85 SMN1; SMN2 (0.53) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL2619317 0.83 MAPK14 (0.47) HIF1AKCNH2WNT3AKMT2AHPGDS
SCHEMBL12214394 0.83 SMN1; SMN2 (0.50) KMT2ARAB9AMEN1SMN1; SMN2MTOR
SCHEMBL2620358 0.80 F10 (0.47) KMT2AMEN1MTORSCN9A
SCHEMBL26033258 0.80 CSF1R (0.54) FLT3

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
US-7888364-B2 Pyridyl inhibitors of hedgehog signalling CURIS, INC. (US) 2011-02-15 US disclosed