SCHEMBL4425907

SCHEMBL4425907

Nc1cc(C(F)(F)F)nc2ncnn12

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 3/20 0.44
POLB P06746 1/20 0.44
MBOAT4 Q96T53 10/20 0.44
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA2 P00918 1/20 0.40
CHKA P35790 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
SCHEMBL22004819 0.81 TP53 (0.45) ALDH1A1KDM4EHPGDPOLBMBOAT4
SCHEMBL20266759 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDPOLBMBOAT4
SCHEMBL18358397 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDPOLBMBOAT4
SCHEMBL5096009 0.77 EGLN2 (0.50) ALDH1A1KDM4EHPGDMBOAT4GAA
SCHEMBL10887539 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDMBOAT4SMN1; SMN2
SCHEMBL609785 0.74 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDPOLBGAA
SCHEMBL12807981 0.70 MEN1 (0.53) ALDH1A1
SCHEMBL11054396 0.70 KDM4E (0.62) ALDH1A1KDM4EHPGDPOLBGAA
SCHEMBL609545 0.70 KDM1A (0.44) ALDH1A1POLBMBOAT4GAASMN1; SMN2
SCHEMBL3636753 0.69 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDPOLBGAA

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
EP-2066177-A2 FUNGICIDAL MIXTURES OF 1-METHYLPYRAZOLE-4-YLCARBOXYLIC ACID ANILIDES AND AZOLOPYRIMIDINYLAMINES BASF SE (DE) 2009-06-10 EP claimed
WO-2008087182-A2 FUNGICIDAL MIXTURES OF 1-METHYLPYRAZOLE-4-YLCARBOXYLIC ACID ANILIDES AND AZOLOPYRIMIDINYLAMINES BASF SE (DE) 2008-07-24 WO claimed