SCHEMBL11297553

SCHEMBL11297553

C=CCNc1ccc(C(Br)=CC(=O)OCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
SMN1; SMN2 Q16637 7/20 0.41
ALDH1A1 P00352 4/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 2/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
AGTR1 P30556 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
CASP3 P42574 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 3/20 0.40
POLB P06746 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL11297551 1.00 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1TP53LMNA
SCHEMBL11071456 0.85 SMN1; SMN2 (0.42) MAPTSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL11071458 0.85 SMN1; SMN2 (0.42) MAPTSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL11318573 0.81 MAPT (0.37) MAPTSMN1; SMN2ALDH1A1TP53LMNA
SCHEMBL11410033 0.80 TSHR (0.57) MAPTSMN1; SMN2ALDH1A1TP53KMT2A
SCHEMBL11467331 0.80 CA1 (0.56) MAPTSMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL11159031 0.78 PTGER4 (0.42) MAPTSMN1; SMN2ALDH1A1TP53HTT
SCHEMBL11497015 0.76 TSHR (0.47) MAPTSMN1; SMN2ALDH1A1TP53LMNA
SCHEMBL9487727 0.75 MAPT (0.50) MAPTSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL11301916 0.73 AURKA (0.40) MAPTSMN1; SMN2ALDH1A1TP53MAPK1

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-4281019-A 4-[(Unsaturated or cyclopropylated alkyl)amino]phenyl compounds useful as hypolipidemic and antiatherosclerotic agents AMERICAN CYANAMID COMPANY (US) 1981-07-28 US disclosed