SCHEMBL9536972

SCHEMBL9536972

NC(=O)N(c1nc2c(c(C(F)(F)F)n1)CCCCC2)c1cc(Cl)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.37
BCHE P06276 4/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CHRM1 P11229 1/20 0.36
EPHX2 P34913 1/20 0.36
MAPT P10636 6/20 0.35
POLB P06746 3/20 0.35
RECQL P46063 1/20 0.35
CASP6 P55212 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 5/20 0.35
EEF2K O00418 2/20 0.34
LMNA P02545 2/20 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
SCHEMBL9536850 1.00 ACHE (0.37) ACHEBCHEGRIN1GRIN2AHPGD
SCHEMBL9539991 0.99 HPGD (0.36) ACHEBCHEGRIN1GRIN2AHPGD
SCHEMBL9540194 0.97 POLB (0.38) ACHEBCHEGRIN1GRIN2AHPGD
SCHEMBL10401003 0.90 L3MBTL1 (0.38) ACHEBCHEGRIN1GRIN2AHPGD
SCHEMBL10401002 0.86 KMT2A (0.36) ACHEBCHEGRIN1GRIN2AHPGD
SCHEMBL9538050 0.85 ACHE (0.40) ACHEBCHEGRIN1GRIN2AHPGD
SCHEMBL10400945 0.85 MAPT (0.35) ACHEBCHEGRIN1GRIN2AHPGD
SCHEMBL10400778 0.81 SMN1; SMN2 (0.40) ACHEBCHEGRIN1GRIN2AHPGD
SCHEMBL10400244 0.80 POLB (0.38) ACHEBCHEGRIN1GRIN2AHPGD
SCHEMBL10401010 0.80 SMN1; SMN2 (0.38) HPGDNPC1RAB9AL3MBTL1SMN1; SMN2

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
EP-0337944-B1 UREAS CIBA-GEIGY AG (CH) 1993-07-28 EP disclosed
US-4973690-A PYRIMIDIN-2-YL UREAS, HERBICICES, PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1990-11-27 US disclosed
EP-0337944-A1 Ureas CIBA-GEIGY AG (CH) 1989-10-18 EP disclosed