SCHEMBL28801773

SCHEMBL28801773

Clc1ccccc1CNc1nc2ccccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
GFER P55789 1/20 0.66
ALDH1A1 P00352 1/20 0.65
RAB9A P51151 2/20 0.63
TP53 P04637 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
PKM P14618 1/20 0.56
BCHE P06276 1/20 0.52
TRPC3 Q13507 1/20 0.52
TRPC4 Q9UBN4 1/20 0.52
TRPC5 Q9UL62 1/20 0.52
LMNA P02545 3/20 0.52
FABP4 P15090 1/20 0.52
NPC1 O15118 1/20 0.52
MAPK8 P45983 1/20 0.49
GAA P10253 1/20 0.49
SLC2A1 P11166 1/20 0.48
TSHR P16473 1/20 0.47
PDE5A O76074 1/20 0.47

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
SCHEMBL31329349 1.00 MEN1 (0.66) MEN1KMT2AGFERALDH1A1RAB9A
SCHEMBL1362228 0.86 RAB9A (0.65) MEN1KMT2AGFERALDH1A1RAB9A
Hydrochloric Acid SCHEMBL1360590 0.85 RAB9A (0.63) MEN1KMT2AGFERALDH1A1RAB9A
SCHEMBL31329339 0.82 RAB9A (0.63) MEN1KMT2AGFERALDH1A1RAB9A
SCHEMBL31147206 0.82 PKM (0.71) MEN1KMT2AGFERALDH1A1RAB9A
SCHEMBL31329356 0.82 LMNA (0.65) MEN1KMT2AGFERALDH1A1RAB9A
SCHEMBL31329347 0.79 RAB9A (0.77) MEN1KMT2AGFERRAB9ATP53
SCHEMBL27915820 0.79 RAB9A (0.77) MEN1KMT2AGFERRAB9ATP53
SCHEMBL12658352 0.78 RAB9A (0.67) MEN1KMT2AGFERALDH1A1RAB9A
SCHEMBL3593419 0.78 RAB9A (1.00) MEN1KMT2AGFERALDH1A1RAB9A

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
CN-103044337-A Synthetic method of 2-(N-alkyl)aminooimidazole derivatives UNIV NANJING SCIENCE & TECH 2013-04-17 CN disclosed