SCHEMBL21686473

SCHEMBL21686473

CC(C)c1ncc(O)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
IDO1 P14902 9/20 0.42
ERN1 O75460 1/20 0.38
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CAPN1 P07384 1/20 0.36
EP300 Q09472 2/20 0.34
KAT2B Q92831 2/20 0.34
KAT8 Q9H7Z6 2/20 0.34
HDAC3 O15379 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
TRPM4 Q8TD43 1/20 0.34
POLB P06746 1/20 0.34
DAO P14920 1/20 0.34

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
SCHEMBL1695165 0.78 GABRA1 (0.43) GABRA1GABRB2TSHRLMNACAPN1
SCHEMBL13154921 0.77 PLAU (0.46) GABRA1GABRB2TSHRLMNACAPN1
SCHEMBL18101002 0.75 ALDH1A1 (0.48) GABRA1GABRB2TSHRLMNAHTT
SCHEMBL22725626 0.75 HTR1B (0.37) GABRA1GABRB2CAPN1POLB
SCHEMBL1563993 0.74 IDO1 (0.46) IDO1ERN1LMNAHTTEP300
SCHEMBL22864125 0.73 ADRB2 (0.50) TSHRLMNA
SCHEMBL15113591 0.73 MAPT (0.42) IDO1LMNAHTTEP300KAT8
SCHEMBL30723280 0.73 IDO1 (0.50) IDO1ERN1TSHRLMNAHTT
SCHEMBL10642216 0.73 IDO1 (0.50) IDO1ERN1TSHRLMNAHTT
SCHEMBL14431324 0.72 GPR84 (0.41) GABRA1GABRB2TSHRPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11275071-B2 Sensor dyes for real-time sensing of metal ions in aqueous environments UWM RESEARCH FOUNDATION, INC. (US) 2022-03-15 US disclosed
US-20200033314-A1 SENSOR DYES FOR REAL-TIME SENSING OF METAL IONS IN AQUEOUS ENVIRONMENTS ADVANCED CHEMICAL SYSTEMS, INC. 2020-01-30 US disclosed