SCHEMBL19648755

SCHEMBL19648755

Cc1cc(NNc2ccc(N(C)C)cc2)ccc1NNc1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.42
▸ KIF11 P52732 3/20 0.38
▸ KCNJ6 P48051 1/20 0.36
▸ KCNJ3 P48549 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ P2RY1 P47900 1/20 0.36
▸ ALDH3A1 P30838 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ TNIK Q9UKE5 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL19648925 0.84 MPO (0.43) KDM1AMAPTMEN1KMT2ARAB9A
SCHEMBL19648758 0.78 KIF11 (0.43) KIF11MAPTMEN1KMT2AHTT
SCHEMBL2056226 0.74 SLC2A1 (0.58) KDM1AKIF11MAPTSLC2A1SMN1; SMN2
SCHEMBL19648933 0.72 KIF11 (0.40) KIF11MAPTMEN1KMT2AHTT
SCHEMBL19648849 0.70 ALDH1A1 (0.46) KDM1AMAPTKMT2ASMN1; SMN2LMNA
SCHEMBL856260 0.70 CA1 (0.56) MAPTKMT2AHTTRAB9AKDM4E
SCHEMBL26268446 0.69 RORC (0.48) KDM1AMAPTCYP2D6
SCHEMBL11671967 0.69 KIF11 (0.59) KDM1AKIF11MAPTSLC2A1SMN1; SMN2
SCHEMBL26268161 0.67 MCHR1 (0.46) KDM1AMAPTRAB9ASMN1; SMN2MAPK1
SCHEMBL19648743 0.65 MAPT (0.52) MAPTMEN1KMT2ARAB9ASMN1; SMN2

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
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