SCHEMBL14293973

SCHEMBL14293973

CN1CCC(Oc2nc(Nc3ccc(O)c(Cl)c3)nc(NC3CCCCCC3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.46
▸ IDH2 P48735 1/20 0.44
▸ HTT P42858 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ BCL6 P41182 2/20 0.42
▸ INSR P06213 1/20 0.41
▸ ALK Q9UM73 1/20 0.41
▸ S1PR1 P21453 1/20 0.40
▸ CTSL P07711 2/20 0.40
▸ CTSS P25774 2/20 0.40
▸ CTSK P43235 2/20 0.40
▸ CTSV O60911 1/20 0.40
▸ PLAT P00750 1/20 0.40
▸ CTSH P09668 1/20 0.40
▸ CASP14 P31944 1/20 0.40
▸ CASP6 P55212 1/20 0.40

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
SCHEMBL4838910 0.90 RAB9A (0.53) RAB9AIDH2HTTMEN1MAPT
SCHEMBL14294123 0.89 IDH2 (0.46) RAB9AIDH2HTTMEN1MAPT
SCHEMBL4832415 0.88 BCL6 (0.56) RAB9AIDH2HTTMEN1MAPT
SCHEMBL14293975 0.87 RAB9A (0.45) RAB9AIDH2HTTMEN1MAPT
SCHEMBL14302330 0.84 MAPT (0.59) RAB9AHTTMEN1MAPTKMT2A
SCHEMBL4838490 0.82 IDH2 (0.46) RAB9AIDH2HTTMEN1MAPT
SCHEMBL14294052 0.81 SMN1; SMN2 (0.47) RAB9AIDH2HTTMEN1MAPT
SCHEMBL14302184 0.81 RAB9A (0.59) RAB9AHTTMEN1MAPTKMT2A
SCHEMBL4832649 0.80 BCL6 (0.49) RAB9AIDH2HTTMEN1MAPT
SCHEMBL4832885 0.80 RAB9A (0.65) RAB9AS1PR1CTSLCTSSCTSK

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-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 — — US disclosed
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