SCHEMBL8524748

SCHEMBL8524748

CONc1nc(N)nc(N(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
RECQL P46063 1/20 0.38
GAA P10253 3/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
CREBBP Q92793 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL18393855 0.85 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9235455 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL61607 0.82 ALDH1A1 (0.33) GAAALDH1A1CA1CA2CA9
SCHEMBL4630998 0.81 CA1 (0.34) POLBGAALMNAHSD17B10SMN1; SMN2
SCHEMBL6720059 0.81 KCNH3 (0.38) POLBGAALMNAHSD17B10SMN1; SMN2
Methoxymethane SCHEMBL11030669 0.79 CA1 (0.33) POLBGAALMNAHSD17B10SMN1; SMN2
SCHEMBL32675859 0.78 LMNA (0.42) POLBGAALMNAHSD17B10CYP1A2
SCHEMBL60190 0.78 LMNA (0.42) POLBGAALMNAHSD17B10CYP1A2
SCHEMBL8469217 0.77 ALDH1A1 (0.33) ALDH1A1
Formaldehyde SCHEMBL6665412 0.77 LMNA (0.34) POLBGAALMNAHSD17B10ALDH1A1

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-6005056-A REACTION PRODUCT OF EPOXY GROUP CONTAINING ACRYLIC COPOLYMERWITH A CARBOXYL GROUP CONTAINING POLYCYCLOALIPHATIC COMPOUND;CLEAR COATS FOR AUTOMOBILES; HIGH GLOSS BOLLIG & KEMPER KG (DE) 1999-12-21 US disclosed