SCHEMBL6826186

SCHEMBL6826186

Nc1nc2c(F)ncnc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PTGS1 P23219 1/20 0.35
MAPK3 P27361 1/20 0.35
XDH P47989 1/20 0.35
HBB P68871 1/20 0.35
PAX8 Q06710 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
PMP22 Q01453 1/20 0.34
NOS1 P29475 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
PNP P00491 2/20 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
SCHEMBL42313 0.78 ADORA2A (0.42) ALDH1A1HPGDSMN1; SMN2USP2TP53
SCHEMBL6831168 0.75 CSNK2A2 (0.41) ALDH1A1HPGDSMN1; SMN2USP2TP53
SCHEMBL6829678 0.75 ALDH1A1 (0.35) ALDH1A1HPGDSMN1; SMN2USP2TP53
SCHEMBL11125305 0.75 ALDH1A1 (0.35) ALDH1A1HPGDSMN1; SMN2USP2TP53
SCHEMBL12489702 0.75 CHEK1 (0.36) ALDH1A1HPGDSMN1; SMN2USP2TP53
SCHEMBL6826187 0.73 NUDT1 (0.44) ALDH1A1HPGDXDHKDM4EHSD17B10
SCHEMBL20460318 0.72 JAK3 (0.49) ALDH1A1HPGDSMN1; SMN2TP53ADORA3
SCHEMBL843216 0.67 ADORA2A (0.40) ADORA3XDHLMNANUDT1ADORA2A
SCHEMBL264364 0.65 PI4KA (0.33) ALDH1A1HPGDSMN1; SMN2TP53PTGS1
SCHEMBL10518128 0.64 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2USP2TP53

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
US-20040214198-A1 Allele-targeted RNA interference UNIVERSITY OF MASSACHUSETTS 2004-10-28 US disclosed
WO-2004046324-A2 ALLELE-TARGETED RNA INTERFERENCE UNIVERSITY OF MASSACHUSETTS (US) 2004-06-03 WO disclosed