SCHEMBL11804342

SCHEMBL11804342

Nc1nnc(C(F)(F)C(Cl)Cl)s1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 4/20 0.33
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
NOTUM Q6P988 1/20 0.33
FBP1 P09467 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL15349614 0.81 ALDH1A1 (0.61) ALDH1A1GAAFBP1
SCHEMBL10668001 0.76 ALDH1A1 (0.67) ALDH1A1KDM4EGAAMGAMSI
SCHEMBL294025 0.75 ALDH1A1 (1.00) ALDH1A1KDM4EGAAFBP1NPC1
SCHEMBL26132311 0.71 ALDH1A1 (0.67) ALDH1A1KDM4EGAAFBP1NPC1
SCHEMBL11615294 0.71 ALDH1A1 (0.67) ALDH1A1KDM4EGAAFBP1
SCHEMBL15349261 0.71 ALDH1A1 (0.67) ALDH1A1KDM4EGAAFBP1NPC1
SCHEMBL11810594 0.71 MPI (0.32)
SCHEMBL11553876 0.70 ALDH1A1 (0.58) ALDH1A1KDM4EGAAMGAMSI
SCHEMBL12186574 0.70 ALDH1A1 (0.64) ALDH1A1KDM4EFBP1
SCHEMBL2813746 0.68 ALDH1A1 (0.61) ALDH1A1KDM4EGAAFBP1NPC1

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-3937715-A PLANT GROWTH REGULATORS HOECHST AKTIENGESELLSCHAFT (DT) 1976-02-10 US disclosed