SCHEMBL7583994

SCHEMBL7583994

N=C=O.O=C(c1ncc[nH]1)c1ncc[nH]1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
BRAF P15056 2/20 0.38
HDAC1 Q13547 2/20 0.38
GLA P06280 1/20 0.38
F2RL1 P55085 1/20 0.37
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
TBXAS1 P24557 1/20 0.33
HSPA5 P11021 1/20 0.32

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
SCHEMBL1324 0.89 NPC1 (0.62) NPC1RAB9AKMT2ASMN1; SMN2HTT
SCHEMBL10952701 0.87 NPC1 (0.60) NPC1RAB9AKMT2ASMN1; SMN2HTT
SCHEMBL28449908 0.87 NPC1 (0.60) NPC1RAB9AKMT2ASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL3543004 0.87 NPC1 (0.60) NPC1RAB9AKMT2ASMN1; SMN2HTT
Hydrogen Sulfide SCHEMBL28438010 0.87 NPC1 (0.60) NPC1RAB9AKMT2ASMN1; SMN2HTT
Bromide SCHEMBL7371333 0.87 NPC1 (0.60) NPC1RAB9AKMT2ASMN1; SMN2HTT
Ammonia Solution, Strong SCHEMBL16266978 0.87 NPC1 (0.60) NPC1RAB9AKMT2ASMN1; SMN2HTT
Bromide SCHEMBL8413998 0.83 NPC1 (0.53) NPC1RAB9AKMT2ASMN1; SMN2HTT
SCHEMBL8413994 0.83 NPC1 (0.53) NPC1RAB9AKMT2ASMN1; SMN2HTT
Boric Acid SCHEMBL29132408 0.83 NPC1 (0.56) NPC1RAB9AKMT2ASMN1; SMN2HTT

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-1234182-A2 HYBRIDIZATION OF TARGET DNA WITH IMMOBILIZED NUCLEIC ACID ANALOGS Iris Bio Technologies (US) 2002-08-28 EP disclosed
WO-2001001144-A2 HYBRIDIZATION OF TARGET DNA WITH IMMOBILIZED NUCLEIC ACID ANALOGS IRIS BIO TECHNOLOGIES (US) 2001-01-04 WO disclosed