SCHEMBL13326014

SCHEMBL13326014

COc1cccc(Nc2nc(Cl)nc(NC3CCCCC3)n2)c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GALR2 O43603 3/20 0.67
▸ GALR1 P47211 3/20 0.67
▸ RAB9A P51151 1/20 0.61
▸ CTSL P07711 3/20 0.60
▸ CTSS P25774 3/20 0.60
▸ CTSK P43235 3/20 0.60
▸ CTSB P07858 1/20 0.60
▸ CTSV O60911 1/20 0.55
▸ PLAT P00750 1/20 0.55
▸ CTSH P09668 1/20 0.55
▸ CASP14 P31944 1/20 0.55
▸ CASP6 P55212 1/20 0.55
▸ CTSZ Q9UBR2 1/20 0.55
▸ KCNH3 Q9ULD8 1/20 0.54
▸ PDE4A P27815 1/20 0.51
▸ APP P05067 1/20 0.50
▸ MAPT P10636 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL13326006 0.85 RAB9A (0.74) GALR2GALR1RAB9ACTSLCTSS
SCHEMBL3291713 0.84 GALR2 (0.67) GALR2GALR1CTSLCTSSCTSK
SCHEMBL13326019 0.82 RAB9A (0.66) GALR2GALR1RAB9ACTSLCTSS
SCHEMBL29609042 0.82 NFKB1 (0.64) RAB9AKCNH3APPMAPTSMN1; SMN2
SCHEMBL13326017 0.82 NFKB1 (0.64) RAB9AKCNH3APPMAPTSMN1; SMN2
SCHEMBL5031260 0.82 RAB9A (0.62) RAB9ACTSLCTSSCTSKCTSB
SCHEMBL13326004 0.81 GAA (0.74) GALR2GALR1RAB9ACTSLCTSS
SCHEMBL4829781 0.81 RAB9A (0.65) GALR2GALR1RAB9ACTSLCTSS
SCHEMBL14600703 0.81 RAB9A (0.75) RAB9ACTSLCTSSCTSKCTSV
SCHEMBL20938665 0.81 RAB9A (0.75) RAB9ACTSLCTSSCTSKCTSV

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-7718655-B2 Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity NEW YORK UNIVERSITY (US) 2010-05-18 — — US disclosed
US-7718655-B2 Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity NEW YORK UNIVERSITY (US) 2010-05-18 — — US disclosed
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