SCHEMBL27685302

SCHEMBL27685302

Oc1ccc(-n2ccc(Nc3cccc(C(F)(F)F)c3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.49
▸ AURKA O14965 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ IDH2 P48735 2/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 4/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KIF11 P52732 2/20 0.43
▸ GAA P10253 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ DHODH Q02127 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL10417190 0.81 ALDH1A1 (0.55) KDM1AAURKAIDH2ALDH1A1MAPT
SCHEMBL27685297 0.81 MAPT (0.47) KDM1AMAPTMEN1KMT2ANPSR1
SCHEMBL10418478 0.80 ABCB11 (0.58) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL27704355 0.78 KDM1A (0.45) KDM1AALDH1A1MEN1KMT2APOLB
SCHEMBL27685419 0.78 TRPV1 (0.43) KDM1AALDH1A1MAPTMEN1KMT2A
SCHEMBL10417635 0.76 KIF11 (0.60) KDM1AAURKAALDH1A1MEN1KMT2A
SCHEMBL16411339 0.75 KIF11 (0.65) IDH2ALDH1A1MAPTMEN1KMT2A
SCHEMBL10419334 0.74 ABCB11 (0.67) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL28733754 0.73 KIF11 (0.50) KDM1AMAPTKIF11TDP1EPHX2
SCHEMBL9279109 0.73 ALDH1A1 (0.45) KDM1ATHRBALDH1A1MAPTMEN1

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
CN-101044125-A Heterocyclic compounds and methods of use TARGEGEN INC (US) 2007-09-26 — — CN disclosed
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