SCHEMBL8109419

SCHEMBL8109419

N=C(N)c1ccsc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.44
WDR5 P61964 1/20 0.44
KMT2A Q03164 4/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
NQO2 P16083 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
F12 P00748 1/20 0.40
F7 P08709 1/20 0.40

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
SCHEMBL6623848 0.82 BCAT2 (0.55) BCAT2KMT2AMAPK1TP53ALOX15
SCHEMBL28036792 0.78 KMT2A (0.50) BCAT2KMT2AMAPK1TP53ALOX15
SCHEMBL3316024 0.78 KMT2A (0.50) BCAT2KMT2AMAPK1TP53ALOX15
SCHEMBL11395216 0.76 KMT2A (0.45) BCAT2KMT2AMAPK1TP53ALOX15
SCHEMBL1147544 0.74 MAPT (0.50) BCAT2KMT2AMAPK1TP53ALOX15
Bicarbonate SCHEMBL28388818 0.72 F2 (0.52) BCAT2WDR5KMT2AALOX15ALDH1A1
SCHEMBL6588159 0.72 IKBKB (0.51) BCAT2KMT2AMAPK1MEN1ALDH1A1
SCHEMBL10495281 0.71 F2 (0.55) WDR5KMT2AALOX15ALDH1A1LMNA
SCHEMBL3321379 0.70 KDM4E (0.56) KMT2AMAPK1TP53ALOX15MEN1
SCHEMBL8084435 0.69 BCAT2 (0.68) BCAT2WDR5KMT2ANQO2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6020488-A Small molecule inhibition of RNA/ligand binding SCRIPTGEN PHARMACEUTICALS INC. (US) 2000-02-01 US disclosed
EP-0833824-A2 SMALL MOLECULE INHIBITION OF RNA/LIGAND BINDING SCRIPTGEN PHARMACEUTICALS, INC. (US) 1998-04-08 EP disclosed
US-5668165-A TREATMENT OF HIV INFECTIONS SCRIPTGEN PHARMACEUTICALS, INC. (US) 1997-09-16 US disclosed
WO-1996040668-A2 SMALL MOLECULE INHIBITION OF RNA/LIGAND BINDING SCRIPTGEN PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed