SCHEMBL8544725

SCHEMBL8544725

Brc1ccc(CCOc2ncnc3ccccc23)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.74
RAB9A P51151 4/20 0.57
NPC1 O15118 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
TSHR P16473 1/20 0.57
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 1/20 0.50
EGFR P00533 2/20 0.49
CYP1B1 Q16678 2/20 0.45
KDR P35968 1/20 0.44
MAPK1 P28482 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 2/20 0.41
APP P05067 1/20 0.41

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
SCHEMBL8548739 0.88 RAB9A (0.69) LMNARAB9ANPC1L3MBTL1TSHR
SCHEMBL8546894 0.87 LMNA (0.64) LMNARAB9ANPC1L3MBTL1TSHR
SCHEMBL8542357 0.85 RAB9A (0.58) LMNARAB9ANPC1L3MBTL1TSHR
SCHEMBL9162456 0.85 RAB9A (0.57) LMNARAB9ANPC1L3MBTL1TSHR
SCHEMBL8542022 0.85 RAB9A (0.59) LMNARAB9ANPC1L3MBTL1TSHR
SCHEMBL8544698 0.85 RAB9A (0.61) LMNARAB9ANPC1L3MBTL1TSHR
SCHEMBL8542920 0.85 RAB9A (0.57) LMNARAB9ANPC1L3MBTL1TSHR
SCHEMBL8548256 0.85 RAB9A (0.57) LMNARAB9ANPC1L3MBTL1TSHR
SCHEMBL23867608 0.83 RAB9A (0.57) LMNARAB9ANPC1L3MBTL1TSHR
SCHEMBL8548873 0.83 RAB9A (0.60) LMNARAB9ANPC1L3MBTL1TSHR

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-0326329-B1 Quinazoline derivatives useful as insecticides. DOW AGROSCIENCES LLC (US) 1998-10-28 EP disclosed