SCHEMBL14284646

SCHEMBL14284646

O=C(Nc1ccccc1Oc1ccc(C(F)(F)F)cc1)c1nc(Br)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LIPE Q05469 3/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ ATM Q13315 2/20 0.42
▸ PTGS1 P23219 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MLYCD O95822 1/20 0.40

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
SCHEMBL14284653 0.89 RXFP1 (0.49) MAPTKDM4EMAPK1TSHRL3MBTL1
SCHEMBL14284668 0.83 TRPV1 (0.49) MAPTPTGS1SMN1; SMN2
SCHEMBL14284648 0.82 USP36 (0.49) MAPTRXFP1PTGS1LMNAMEN1
SCHEMBL14284654 0.80 PIN1 (0.45) L3MBTL1THRBLMNAMEN1KMT2A
SCHEMBL14284658 0.75 TLR8 (0.56) MAPTKDM4EMAPK1TDP1L3MBTL1
SCHEMBL14284647 0.74 PIN1 (0.46) RXFP1THRB
SCHEMBL14284650 0.74 GAA (0.49) MAPTKDM4EMAPK1TDP1L3MBTL1
SCHEMBL13265973 0.71 RAB9A (0.74) MAPTKDM4EMAPK1TSHRTDP1
SCHEMBL11429250 0.71 RAB9A (0.63) MAPTKDM4EMAPK1TSHRTDP1
SCHEMBL7126723 0.69 PYGL (0.66) MAPTKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 — — US disclosed
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 — — US disclosed
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