SCHEMBL4917690

SCHEMBL4917690

COc1sc(-c2ccccc2)nc1C1=C(c2nc(-c3ccccc3)sc2OC)C(F)(F)C(F)(F)C1(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RARA P10276 2/20 0.36
▸ RARB P10826 2/20 0.36
▸ RARG P13631 2/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ MAOB P27338 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4925275 0.92 PTGDR2 (0.37) PTGDR2ALDH1A1POLBALOX5KDM4E
SCHEMBL3434571 0.81 RARA (0.51) PTGDR2ALDH1A1POLBALOX5KDM4E
SCHEMBL14838337 0.79 PTGS2 (0.46) PTGDR2ALDH1A1POLBALOX5KDM4E
SCHEMBL3869807 0.73 RARA (0.41) ALDH1A1ALOX5KDM4EMAPTRARA
SCHEMBL26361757 0.72 SMN1; SMN2 (0.53) ALDH1A1POLBALOX5KDM4ETRPM8
SCHEMBL3869530 0.71 RARA (0.40) ALDH1A1ALOX5KDM4ERARARARB
SCHEMBL3960111 0.70 ALDH1A1 (0.47) PTGDR2ALDH1A1POLBALOX5KDM4E
SCHEMBL3872128 0.70 RARA (0.41) PTGDR2ALDH1A1POLBALOX5KDM4E
SCHEMBL1041118 0.70 ALDH1A1 (0.37) ALDH1A1POLBKDM4EMAPTNPC1
SCHEMBL4922385 0.69 TSHR (0.54) ALDH1A1KDM4EMAPTNPC1RAB9A

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-20080248411-A1 Display Medium and Displaying Method MASAHIRO IRIE (JP) 2008-10-09 — — US disclosed
Send feedback