SCHEMBL15940624

SCHEMBL15940624

C#CCOC(=O)CCC(=O)Nc1cc(C#N)ccn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ TSHR P16473 1/20 0.41
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ GSTP1 P09211 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ ERBB3 P21860 1/20 0.38
▸ GRM5 P41594 2/20 0.37
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ RORC P51449 2/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPK8 P45983 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ USP30 Q70CQ3 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
SCHEMBL15910526 0.84 HTT (0.47) ALDH1A1NPC1RAB9AHCRTR1HCRTR2
SCHEMBL15925145 0.79 TSHR (0.48) ALDH1A1TSHRNPC1RAB9AEGFR
SCHEMBL21766656 0.77 NAMPT (0.47) ALDH1A1TSHRNPC1RAB9ARORC
SCHEMBL19151107 0.74 TYK2 (0.50) ALDH1A1NPC1RAB9AGRM5HCRTR1
SCHEMBL31703164 0.74 ALDH1A1 (0.43) ALDH1A1EGFRGRM5HCRTR1HCRTR2
SCHEMBL19116805 0.70 SMN1; SMN2 (0.51) RAB9AHCRTR1HCRTR2RORCSMN1; SMN2
SCHEMBL15205400 0.70 GRM5 (0.44) NPC1RAB9AGRM5HCRTR1HCRTR2
SCHEMBL3558994 0.69 L3MBTL1 (0.52) GRM5RORCTYK2
SCHEMBL14774917 0.68 EGFR (0.48) ALDH1A1RAB9AEGFRERBB3HCRTR1
SCHEMBL19404204 0.68 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AGRM5HCRTR1

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
WO-2014122065-A1 2-AMINOPYRIDINE DERIVATIVES AS PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-08-14 — — WO disclosed
WO-2014122065-A1 2-AMINOPYRIDINE DERIVATIVES AS PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-08-14 — — WO disclosed
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