SCHEMBL401056

SCHEMBL401056

C[C@H](CI)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRK1 P41145 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
CA12 O43570 1/20 0.44

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
SCHEMBL1547271 1.00 MEN1 (0.57) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL677191 0.84 MEN1 (0.59) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL531744 0.84 MEN1 (0.59) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL14990788 0.84 MEN1 (0.59) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL15011977 0.84 MEN1 (0.59) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL1547478 0.82 MEN1 (0.57) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL7996485 0.82 MEN1 (0.57) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL1701279 0.81 KMT2A (0.76) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL11557832 0.81 MEN1 (0.56) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL15011877 0.79 KMT2A (0.54) MEN1KMT2ALMNAALDH1A1POLB

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-8101604-B2 Alpha carbolines and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed