SCHEMBL13102423

SCHEMBL13102423

CC(C)=CC(=O)n1cnnn1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 7/20 0.41
ALDH1A1 P00352 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.31
NPC1 O15118 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8401872 0.74 KCNJ1 (0.41) KCNJ1ALDH1A1RXFP1MEN1KMT2A
SCHEMBL5278040 0.71 KCNJ1 (0.36) KCNJ1ALDH1A1MEN1KMT2A
SCHEMBL22937423 0.69
SCHEMBL4502875 0.69
SCHEMBL707611 0.67
SCHEMBL8399476 0.64
Acetic Acid SCHEMBL3420114 0.60 KCNJ1 (0.44) KCNJ1ALDH1A1RXFP1KMT2ASMN1; SMN2
SCHEMBL412431 0.56 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ATP53
SCHEMBL29842192 0.54 LMNA (0.42) ALDH1A1MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL22825659 0.54 LMNA (0.42) ALDH1A1MEN1TSHRKMT2ASMN1; SMN2

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-20100273116-A1 SILVER HALIDE PHOTOSENSITIVE MATERIAL FUJIFILM CORPORATION (JP) 2010-10-28 US disclosed