SCHEMBL11698454

SCHEMBL11698454

NNc1n[nH]c2c(C(F)(F)F)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.42
▸ EGFR P00533 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ AXL P30530 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.36
▸ MAOA P21397 1/20 0.36

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
SCHEMBL5583098 0.81 KIF11 (0.38) KIF11EGFRSMN1; SMN2KDM4EHSD17B10
SCHEMBL2661233 0.80 CHEK1 (0.55) KIF11SMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL13122112 0.76 KIF11 (0.47) KIF11EGFRSMN1; SMN2KDM4EHSD17B10
SCHEMBL4796082 0.75 FADS1 (0.61) EGFRAXLTRPA1PLK3
SCHEMBL20674188 0.75 KIF11 (0.46) KIF11EGFRSMN1; SMN2KDM4EHSD17B10
SCHEMBL4493290 0.75 KIF11 (0.46) KIF11EGFRSMN1; SMN2KDM4EHSD17B10
SCHEMBL4240411 0.75 KIF11 (0.46) KIF11EGFRSMN1; SMN2KDM4EHSD17B10
SCHEMBL2659927 0.74 ALDH1A1 (0.54) KIF11EGFRSMN1; SMN2KDM4EHSD17B10
SCHEMBL1407075 0.72 ALDH1A1 (0.49) KIF11SMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL13115644 0.72 KIF11 (0.44) KIF11EGFRSMN1; SMN2KDM4EHSD17B10

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-4065568-A 3-Carbo(lower alkoxy)hydrazinoindazoles BAYER AKTIENGESELLSCHAFT (DT) 1977-12-27 — — US disclosed
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