SCHEMBL11067809

SCHEMBL11067809

S=C(Nc1ccc(Br)cc1)Nc1cccc(Br)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.83
KMT2A Q03164 6/20 0.83
ALDH1A1 P00352 3/20 0.83
KDM4E B2RXH2 1/20 0.83
MAPT P10636 5/20 0.73
CYP1A2 P05177 2/20 0.73
CYP3A4 P08684 2/20 0.73
CYP2C19 P33261 2/20 0.73
HTT P42858 2/20 0.73
CYP2D6 P10635 1/20 0.73
NPSR1 Q6W5P4 1/20 0.73
MAOA P21397 2/20 0.72
MAOB P27338 2/20 0.72
IDO1 P14902 2/20 0.69
EGFR P00533 4/20 0.63
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAPK1 P28482 1/20 0.59
HPGD P15428 2/20 0.57
ALOX12 P18054 2/20 0.57

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
SCHEMBL31388373 0.92 KMT2A (0.89) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL5442089 0.92 KMT2A (0.89) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL16566477 0.91 KMT2A (1.00) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6816155 0.88 KMT2A (0.75) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL5137359 0.84 ALDH1A1 (1.00) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL8956372 0.84 MAPT (0.83) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL5455602 0.84 MAPT (0.83) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL7594296 0.82 ALDH1A1 (0.67) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL11051606 0.81 MAOA (0.72) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6153945 0.81 IDO1 (1.00) MEN1KMT2AALDH1A1KDM4EMAPT

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-4461821-A Photoconductive compositions and electrophotographic photosensitive materials comprising an organic photoconductor and a thiourea compound FUJI PHOTO FILM CO., LTD. (JP) 1984-07-24 US disclosed