SCHEMBL14294123

SCHEMBL14294123

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 1/20 0.46
▸ MEN1 O00255 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RAB9A P51151 1/20 0.41
▸ EGFR P00533 3/20 0.41
▸ BCL6 P41182 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ S1PR1 P21453 1/20 0.39
▸ RPS6KA6 Q9UK32 1/20 0.39
▸ EHMT2 Q96KQ7 1/20 0.39
▸ EHMT1 Q9H9B1 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ BLM P54132 1/20 0.38

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
SCHEMBL14293971 0.91 RPS6KA6 (0.41) IDH2EGFRRPS6KA6
SCHEMBL4837042 0.90 IDH2 (0.55) IDH2MEN1MAPTHTTKMT2A
SCHEMBL14293973 0.89 RAB9A (0.46) IDH2MEN1MAPTHTTKMT2A
SCHEMBL4832649 0.88 BCL6 (0.49) IDH2MEN1MAPTHTTKMT2A
SCHEMBL14293970 0.87 CTSS (0.44) IDH2MEN1MAPTHTTKMT2A
SCHEMBL14293851 0.85 EHMT2 (0.39) HTTSMN1; SMN2NPSR1EHMT2EHMT1
SCHEMBL4838593 0.82 IDH2 (0.48) IDH2MEN1MAPTHTTKMT2A
SCHEMBL14293968 0.82 AXL (0.37) IDH2EGFRRPS6KA6EHMT2EHMT1
SCHEMBL14302199 0.81 NPSR1 (0.53) MEN1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL14294052 0.81 SMN1; SMN2 (0.47) IDH2MEN1MAPTHTTKMT2A

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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