SCHEMBL14827238

SCHEMBL14827238

O=C/C=C/c1sc2ccccc2[n+]1CCCCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MAPT P10636 4/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ CTNNB1 P35222 1/20 0.48
▸ INSR P06213 13/20 0.44
▸ HTT P42858 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ BLM P54132 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ OPRK1 P41145 1/20 0.40

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
SCHEMBL12012062 0.83 MAPT (0.52) CYP2D6TSHRHSD17B10MAPTMEN1
SCHEMBL14095647 0.77 CYP2D6 (0.81) CYP2D6TSHRHSD17B10MAPTMEN1
SCHEMBL30924847 0.76 CYP2D6 (0.79) CYP2D6TSHRHSD17B10MAPTALDH1A1
SCHEMBL13084572 0.76 CYP2D6 (0.79) CYP2D6TSHRHSD17B10MAPTALDH1A1
Bromide SCHEMBL887660 0.76 CYP2D6 (0.79) CYP2D6TSHRHSD17B10MAPTMEN1
SCHEMBL13933959 0.75 MEN1 (0.60) CYP2D6MAPTMEN1KMT2AALDH1A1
Bromide SCHEMBL1655741 0.74 CYP2D6 (0.77) CYP2D6TSHRHSD17B10MAPTALDH1A1
SCHEMBL26023141 0.72 MAPT (0.60) CYP2D6TSHRHSD17B10MAPTMEN1
SCHEMBL10023147 0.72 MAPT (0.60) CYP2D6TSHRHSD17B10MAPTMEN1
SCHEMBL30924854 0.72 INSR (0.57) CYP2D6TSHRHSD17B10MAPTMEN1

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-20130084561-A1 BIODETECTION BY NUCLEIC ACID-TEMPLATED CHEMISTRY COULL JAMES M (US) 2013-04-04 — — US disclosed
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