SCHEMBL9640941

SCHEMBL9640941

COc1nc(C(F)(F)F)cc2nc(SCc3ccccc3)nn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
PKM P14618 1/20 0.46
CKS1B P61024 2/20 0.44
SKP2 Q13309 2/20 0.44
KDM1A O60341 4/20 0.42
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.40
ABCB1 P08183 3/20 0.40
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
PDE10A Q9Y233 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL9538648 0.85 ALDH1A1 (0.53) ALDH1A1CKS1BSKP2KDM1AKMT2A
SCHEMBL9534926 0.83 ALDH1A1 (0.63) ALDH1A1CKS1BSKP2KDM1AKMT2A
SCHEMBL9535777 0.83 ALDH1A1 (0.54) ALDH1A1CKS1BSKP2KDM1AKMT2A
SCHEMBL9642748 0.82 ALDH1A1 (0.53) ALDH1A1CKS1BSKP2KDM1AKMT2A
SCHEMBL9642787 0.81 ALDH1A1 (0.52) ALDH1A1CKS1BSKP2KDM1AKMT2A
SCHEMBL9536004 0.77 ALDH1A1 (0.52) ALDH1A1CKS1BSKP2KDM1AKMT2A
SCHEMBL9534282 0.75 ALDH1A1 (0.56) ALDH1A1CKS1BSKP2KDM1AKMT2A
SCHEMBL9642193 0.74 ALDH1A1 (0.47) ALDH1A1PKMCKS1BSKP2KDM1A
SCHEMBL9832927 0.74 ALDH1A1 (0.51) ALDH1A1PKMCKS1BSKP2KDM1A
SCHEMBL7840628 0.74 ALDH1A1 (0.67) ALDH1A1CKS1BSKP2KDM1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5163995-A For use with grassy crops and soybeans DOWELANCO (US) 1992-11-17 US disclosed