SCHEMBL8489792

SCHEMBL8489792

COc1ccccc1CCNc1ncnc2sccc12

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.78
▸ MEN1 O00255 5/20 0.78
▸ TNF P01375 2/20 0.78
▸ NOD1 Q9Y239 2/20 0.78
▸ HTT P42858 4/20 0.67
▸ NPC1 O15118 4/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.67
▸ RAB9A P51151 3/20 0.67
▸ LMNA P02545 3/20 0.67
▸ GALR3 O60755 1/20 0.67
▸ NR2F2 P24468 1/20 0.67
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 2/20 0.48
▸ APP P05067 1/20 0.46

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
SCHEMBL8490055 0.86 KMT2A (0.61) KMT2AMEN1TNFNOD1HTT
SCHEMBL8482830 0.85 MEN1 (0.57) KMT2AMEN1TNFNOD1HTT
SCHEMBL8504006 0.84 HTT (0.64) KMT2AMEN1TNFNOD1HTT
SCHEMBL8490348 0.83 HTT (0.65) KMT2AMEN1TNFNOD1HTT
SCHEMBL8515676 0.82 MEN1 (0.56) KMT2AMEN1TNFNOD1HTT
SCHEMBL8505625 0.81 HTT (0.64) KMT2AMEN1TNFNOD1HTT
SCHEMBL8482940 0.81 MEN1 (0.77) KMT2AMEN1TNFNOD1HTT
SCHEMBL8483285 0.80 APP (0.68) KMT2AMEN1HTTSMN1; SMN2LMNA
SCHEMBL17456981 0.80 SMN1; SMN2 (1.00) KMT2AMEN1TNFNOD1HTT
SCHEMBL3341524 0.79 RAB9A (0.64) KMT2AMEN1TNFNOD1HTT

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
EP-2455371-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE SDS Biotech K. K. (JP) 2012-05-23 — — EP disclosed
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