SCHEMBL19648933

SCHEMBL19648933

Cc1cc(NNc2ccc(C(F)(F)F)cc2)c(C)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 5/20 0.40
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ AGPAT2 O15120 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ PTGS1 P23219 4/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL19648758 0.81 KIF11 (0.43) KIF11MAPTMEN1KMT2AALDH1A1
SCHEMBL11936145 0.76 ALDH1A1 (0.43) KIF11MAPTMEN1KMT2AALDH1A1
SCHEMBL19648743 0.74 MAPT (0.52) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL19648755 0.72 KDM1A (0.42) KIF11MAPTMEN1KMT2AKDM4E
SCHEMBL19648596 0.72 KIF11 (0.64) KIF11CA1CA2PTGS1EPHX2
SCHEMBL19648938 0.70 MAPT (0.46) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL18752561 0.69 KIF11 (0.59) KIF11MEN1KMT2AALDH1A1RAB9A
SCHEMBL378246 0.69 ALDH1A1 (0.52) KIF11MAPTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6062984 0.68 ALDH1A1 (0.50) KIF11MAPTMEN1KMT2AALDH1A1
SCHEMBL330442 0.68 ALDH1A1 (0.50) KIF11MAPTMEN1KMT2AALDH1A1

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
EP-2580289-B1 BLACK DICHROIC DYE BASF SE (DE) 2017-11-29 — — EP disclosed
Send feedback