SCHEMBL18993113

SCHEMBL18993113

Cc1ccc(Oc2cccc(CO)c2)nc1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.44
PPARG P37231 1/20 0.43
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
KDR P35968 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
P2RX3 P56373 3/20 0.38
BRD4 O60885 1/20 0.38
F2 P00734 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCL1 Q07820 1/20 0.36
BAK1 Q16611 1/20 0.36

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
SCHEMBL18993112 0.85 PPARG (0.41) F10PPARGP2RX3F2MCL1
SCHEMBL14810751 0.82 NR1H2 (0.50) F10NR1H2NR1H3KDR
SCHEMBL1011422 0.82 F10 (0.46) F10PPARGNR1H2NR1H3KDR
Ammonia Solution, Strong SCHEMBL28506544 0.77 PPARG (0.43) F10PPARGP2RX3F2TSHR
SCHEMBL18993116 0.77 CCNT1 (0.39) F10PPARGP2RX3F2
SCHEMBL1011129 0.77 NR1H2 (0.46) F10PPARGNR1H2NR1H3KDR
Hydrochloric Acid SCHEMBL28515429 0.76 PPARG (0.43) F10PPARGP2RX3F2TSHR
SCHEMBL27209666 0.76 F10 (0.42) F10NR1H2NR1H3KDRGPBAR1
SCHEMBL18960378 0.76 MEN1 (0.46) PPARGTSHR
SCHEMBL18586073 0.75 F10 (0.44) F10NR1H2NR1H3KDRGPBAR1

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-9682953-B2 Amide compounds, compositions and applications thereof ADVINUS THERAPEUTICS LIMITED (IN) 2017-06-20 US disclosed