SCHEMBL11246090

SCHEMBL11246090

CC(=O)Nc1cccc(NCCC(N)C(O)COc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
BRAF P15056 1/20 0.43
LMNA P02545 1/20 0.43
AHR P35869 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL11238954 0.84 MAPT (0.47) MAPTSMN1; SMN2LMNA
SCHEMBL11237823 0.84 MAPT (0.42) MAPTSMN1; SMN2MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL11235230 0.83 MAPT (0.46) MAPTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL11236940 0.83 MAPT (0.41) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL11234636 0.83 HTT (0.41) MAPTSMN1; SMN2MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL11230529 0.82 MAPT (0.50) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL11230236 0.80 ALDH1A1 (0.50) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10889271 0.79 MAPT (0.77) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL11246095 0.79 RAB9A (0.46) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL11246086 0.79 MAPT (0.63) MAPTMEN1KMT2ATSHR

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-4356322-A ADRENERGIC STIMULANTS; CARDIOTONIC AGENTS VEB ARZNEIMITTELWERK DRESDEN (DD) 1982-10-26 US claimed