SCHEMBL7436205

SCHEMBL7436205

NCC(O)C1COc2cc(Br)ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
BLM P54132 1/20 0.38
FFAR1 O14842 3/20 0.36
PYGL P06737 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AHR P35869 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
CYP19A1 P11511 1/20 0.33
MAOB P27338 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32

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
SCHEMBL7438907 0.83 CA2 (0.46) CA2MAPTLMNAFFAR1SMN1; SMN2
SCHEMBL7445352 0.83 CA2 (0.40) CA2MAPTLMNAFFAR1SMN1; SMN2
SCHEMBL11055550 0.80 LMNA (0.50) CA2MAPTLMNAHTTSMN1; SMN2
SCHEMBL11055545 0.80 LMNA (0.50) CA2MAPTLMNAHTTSMN1; SMN2
SCHEMBL7434736 0.80 LMNA (0.50) CA2MAPTLMNAHTTSMN1; SMN2
SCHEMBL11279575 0.80 LMNA (0.50) CA2MAPTLMNAHTTSMN1; SMN2
SCHEMBL7436820 0.80 LMNA (0.45) MAPTLMNAFFAR1SMN1; SMN2MEN1
SCHEMBL7432523 0.80 KMT2A (0.35) MAPTLMNASMN1; SMN2NPSR1MEN1
SCHEMBL7437035 0.80 PNMT (0.38) MAPTLMNAHTTFFAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL7437739 0.79 LMNA (0.49) CA2MAPTLMNAHTTSMN1; SMN2

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed