SCHEMBL8067745

SCHEMBL8067745

N#CC(Oc1ccc(F)cc1)c1ccnc2cc(Cl)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.43
SOS2 Q07890 1/20 0.43
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
PDGFRA P16234 1/20 0.35
KDR P35968 1/20 0.35
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
CCR1 P32246 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CHKA P35790 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL8593707 0.79 NR4A2 (0.41) NR4A2SOS2MAPTALDH1A1POLB
SCHEMBL5591876 0.79 NR4A2 (0.46) NR4A2SOS2MAPTALDH1A1POLB
SCHEMBL7456971 0.71 NR4A2 (0.51) NR4A2SOS2MAPTALDH1A1PDGFRA
Hydrochloric Acid SCHEMBL27295456 0.70 NR4A2 (0.50) NR4A2SOS2MAPTALDH1A1PDGFRA
SCHEMBL8593709 0.70 NR4A2 (0.41) NR4A2SOS2MAPTPOLBTHRB
SCHEMBL5591810 0.69 CHKA (0.45) NR4A2SOS2MAPTALDH1A1POLB
SCHEMBL8067788 0.68 NR4A2 (0.40) NR4A2SOS2MAPTALDH1A1POLB
SCHEMBL24420728 0.67 NR4A2 (0.58) NR4A2SOS2MAPTALDH1A1POLB
SCHEMBL21160763 0.67 NR4A2 (0.56) NR4A2SOS2MAPTALDH1A1CYP1A2
SCHEMBL9431519 0.67 SLC6A4 (0.48) NR4A2SOS2MAPTALDH1A1POLB

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 3 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 claimed
EP-0925282-A1 4-SUBSTITUTED QUINOLINE DERIVATIVES HAVING FUNGICIDAL ACTIVITY DOWELANCO (US) 1999-06-30 EP claimed
WO-1998005645-A1 4-SUBSTITUTED QUINOLINE DERIVATIVES HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 1998-02-12 WO claimed