SCHEMBL9430440

SCHEMBL9430440

Clc1ccc(CCOc2ncnc3ncccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.48
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TRPA1 O75762 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
PDE10A Q9Y233 2/20 0.40
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
EP300 Q09472 1/20 0.36
CREBBP Q92793 1/20 0.36
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
TP53 P04637 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL9792739 0.85 CYP11B1 (0.41) HCAR2MEN1KMT2AL3MBTL1PDE10A
SCHEMBL9792735 0.83 RAB9A (0.53) HCAR2MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL9431457 0.83 HCAR2 (0.36) HCAR2MEN1KMT2AL3MBTL1PDE10A
SCHEMBL8542357 0.80 RAB9A (0.58) MEN1KMT2AL3MBTL1HTTMAPK1
SCHEMBL9468716 0.78 PDE10A (0.39) PDE10AEP300CREBBPKAT2AKAT2B
SCHEMBL8548181 0.76 TRPA1 (0.43) HCAR2MEN1KMT2ATRPA1L3MBTL1
SCHEMBL9383480 0.75 RAB9A (0.55) MEN1KMT2AL3MBTL1HTTMAPK1
SCHEMBL9383256 0.71 TRPA1 (0.39) MEN1KMT2ATRPA1HTTGPR84
SCHEMBL1870799 0.70 HCAR2 (0.74) HCAR2
SCHEMBL1368257 0.69 GPR84 (0.42) HCAR2MEN1KMT2ATRPA1L3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5350749-A Fungicides, insecticides and miticides DOWELANCO (US) 1994-09-27 US disclosed
US-5350749-A Fungicides, insecticides and miticides DOWELANCO (US) 1994-09-27 US disclosed
US-5034393-A Fungicides for plants DOWELANCO (US) 1991-07-23 US disclosed
US-5034393-A Fungicides for plants DOWELANCO (US) 1991-07-23 US disclosed
EP-0414386-A1 Condensed pyrimidine derivates DowElanco (US) 1991-02-27 EP disclosed