SCHEMBL8064487

SCHEMBL8064487

C=CCNc1nc(N)nc(NC)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GBA1 P04062 1/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
OPRK1 P41145 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL2268712 0.90 POLB (0.46) GAAKMT2AMEN1ALDH1A1GBA1
SCHEMBL276285 0.86 GAA (0.46) GAAKMT2AMEN1ALDH1A1GBA1
Formaldehyde SCHEMBL5690331 0.82 GAA (0.43) GAAKMT2AMEN1ALDH1A1GBA1
SCHEMBL11785501 0.81 CYP1A2 (0.55) GAAKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL3237315 0.79 GAA (0.53) GAAKMT2AMEN1ALDH1A1GBA1
SCHEMBL3241982 0.79 POLB (0.39) GAAKMT2AMEN1ALDH1A1GBA1
SCHEMBL18067374 0.78 CA1 (0.44) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL11215470 0.78 GBA1 (0.41) GAAKMT2AMEN1ALDH1A1GBA1
SCHEMBL9325917 0.78 KMT2A (0.50) GAAKMT2AMEN1ALDH1A1GBA1
SCHEMBL9325113 0.77 HSP90AB1 (0.43) GAAKMT2AMEN1ALDH1A1GBA1

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-6159331-A Method of using bridging agent for laminates FORMICA CORPORATION (US) 2000-12-12 US disclosed