SCHEMBL8068792

SCHEMBL8068792

OC(c1ccnc2cc(Cl)ccc12)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.49
SOS2 Q07890 1/20 0.49
CYP1A2 P05177 1/20 0.44
MAPT P10636 4/20 0.43
GAA P10253 2/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
KMT2A Q03164 2/20 0.42
CCR1 P32246 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PRNP P04156 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CHKA P35790 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL21160763 0.82 NR4A2 (0.56) NR4A2SOS2CYP1A2MAPTGAA
SCHEMBL24420728 0.76 NR4A2 (0.58) NR4A2SOS2CYP1A2MAPTTDP1
SCHEMBL8067788 0.73 NR4A2 (0.40) NR4A2SOS2CYP1A2MAPTTDP1
SCHEMBL669631 0.72 NR4A2 (0.56) NR4A2SOS2CYP1A2MAPTGAA
SCHEMBL5275609 0.72 NR4A2 (0.56) NR4A2SOS2CYP1A2MAPTGAA
SCHEMBL30025652 0.72 CYP3A4 (0.41) CYP1A2MAPTTDP1KMT2AHSD17B10
SCHEMBL23535243 0.72 CYP3A4 (0.41) CYP1A2MAPTTDP1KMT2AHSD17B10
SCHEMBL23534517 0.72 CYP3A4 (0.41) CYP1A2MAPTTDP1KMT2AHSD17B10
SCHEMBL9229271 0.72 NR4A2 (0.51) NR4A2SOS2CYP1A2MAPTGAA
SCHEMBL14321599 0.71 TSHR (0.41) MAPTGAATDP1HSD17B10ALDH1A1

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-6117884-A 4-substituted quinoline derivatives having fungicidal activity DAEUBLE JOHN (US) 2000-09-12 US disclosed
CN-1228084-A 4-substituted quinoline derivatives having fungicidal activity DOW AGROSCIENCES LLC (US) 1999-09-08 CN disclosed
EP-0925282-A1 4-SUBSTITUTED QUINOLINE DERIVATIVES HAVING FUNGICIDAL ACTIVITY DOWELANCO (US) 1999-06-30 EP disclosed
WO-1998005645-A9 4-SUBSTITUTED QUINOLINE DERIVATIVES HAVING FUNGICIDAL ACTIVITY 1998-08-20 WO disclosed
WO-1998005645-A1 4-SUBSTITUTED QUINOLINE DERIVATIVES HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 1998-02-12 WO disclosed