SCHEMBL7168201

SCHEMBL7168201

COC(=O)CC(=O)[N]c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
KCNN4 O15554 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 3/20 0.40
LMNA P02545 1/20 0.40
AKT1 P31749 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
PRNP P04156 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
Hydrochloric Acid SCHEMBL7161081 0.82 ALDH1A1 (0.49) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11784915 0.80 MAPT (0.43) ALDH1A1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL2229589 0.79 MAPT (0.41) ALDH1A1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL4704606 0.78 TSHR (0.43) ALDH1A1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9195179 0.76 MAPT (0.45) ALDH1A1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL7509360 0.76 HSD11B1 (0.43) ALDH1A1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9195182 0.76 MAPT (0.45) ALDH1A1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL2592 0.75 CES2 (0.43) ALDH1A1MAPTSMN1; SMN2L3MBTL1TSHR
SCHEMBL282530 0.75 MAPT (0.50) ALDH1A1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL7525367 0.74 KMT2A (0.61) ALDH1A1MAPTRAB9ASMN1; SMN2MEN1

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
EP-0966454-B1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2003-05-07 EP claimed