SCHEMBL8985294

SCHEMBL8985294

CSc1ccc(-c2cc(Cl)sc2-c2ccc(N)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
APP P05067 2/20 0.35
PTGS2 P35354 3/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
FBP1 P09467 1/20 0.33

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
SCHEMBL8985540 0.82 PTGS2 (0.45) PTGS1APPPTGS2FBP1LMNA
SCHEMBL8985333 0.79 GSK3B (0.42) PTGS1APPPTGS2ALDH1A1SMN1; SMN2
SCHEMBL8985365 0.78 PTGS1 (0.35) PTGS1PTGS2LMNAALDH1A1SMN1; SMN2
SCHEMBL8985272 0.77 MAPK14 (0.52) PTGS1PTGS2FBP1LMNAALDH1A1
SCHEMBL8985463 0.77 PTGS1 (0.35) PTGS1PTGS2ALDH1A1NPC1L3MBTL1
SCHEMBL8985459 0.75 CYP1A2 (0.37) PTGS1PTGS2LMNAALDH1A1SMN1; SMN2
SCHEMBL3790289 0.72 ALDH1A1 (0.58) APPPTGS2LMNAALDH1A1SMN1; SMN2
SCHEMBL8985268 0.72 MAPK14 (0.57) PTGS1PTGS2LMNAALDH1A1SMN1; SMN2
SCHEMBL112595 0.70
SCHEMBL10844270 0.69 OPRD1 (0.56) APPPTGS2ALDH1A1MAPT

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-5571810-A ANTIINFLAMMATORY AGENTS, ANALGESICS, COLLAGEN DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-05 US disclosed