SCHEMBL13680485

SCHEMBL13680485

Cc1ccc(-c2ccc(OC(F)(F)F)cc2)o1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.51
SCN10A Q9Y5Y9 1/20 0.51
NPSR1 Q6W5P4 1/20 0.43
NOTUM Q6P988 1/20 0.43
KIF11 P52732 1/20 0.41
ABCB1 P08183 1/20 0.41
PRKDC P78527 1/20 0.41
GSK3B P49841 1/20 0.40
PTGS2 P35354 1/20 0.40
PTGER4 P35408 1/20 0.40
P2RX3 P56373 1/20 0.39
NISCH Q9Y2I1 1/20 0.38
SCN5A Q14524 3/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
TDP2 O95551 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL23197679 0.78 TDP1 (0.56) PRMT1GSK3BPTGS2TSHR
SCHEMBL13680560 0.77 GSK3B (0.59) GSK3BTSHR
SCHEMBL13680516 0.76 CYP1A2 (0.39) PRMT1SCN10ANPSR1GSK3BP2RX3
SCHEMBL10222192 0.76 PRMT1 (0.48) PRMT1NOTUMKIF11GSK3BPTGS2
SCHEMBL5124585 0.75 ALDH1A1 (0.60) PRMT1SCN10ANOTUMPRKDC
SCHEMBL22042121 0.75 PRMT1 (0.54) PRMT1SCN10ANPSR1NOTUMABCB1
SCHEMBL4606442 0.75 TP53 (0.57) SCN10ANPSR1NOTUMPRKDCPTGER4
SCHEMBL5843366 0.73 SCN10A (0.60) SCN10AABCB1PTGER4
SCHEMBL1044896 0.72 KIF11 (0.53) SCN10ANPSR1KIF11NISCHSCN5A
SCHEMBL5539598 0.72 GSK3B (0.57) GSK3BPTGS2TSHR

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed