SCHEMBL9681992

SCHEMBL9681992

Nc1cc(Br)ccc1NCc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.42
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
EGFR P00533 1/20 0.39
CCR5 P51681 2/20 0.39
THRB P10828 1/20 0.39
DNM1 Q05193 1/20 0.39
APP P05067 1/20 0.38
HDAC3 O15379 1/20 0.38
NCOR1 O75376 1/20 0.38
HDAC1 Q13547 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL9682901 0.90 MAPT (0.43) HDAC8MAPTL3MBTL1MEN1KMT2A
SCHEMBL20715674 0.87 HDAC8 (0.42) HDAC8MAPTL3MBTL1MEN1KMT2A
SCHEMBL9683129 0.86 MAPT (0.47) HDAC8MAPTL3MBTL1MEN1KMT2A
SCHEMBL17149351 0.84 KMT2A (0.44) MAPTL3MBTL1MEN1KMT2ATDP1
SCHEMBL3235742 0.83 SMN1; SMN2 (0.47) MAPTMEN1KMT2AAPP
SCHEMBL9681343 0.81 HDAC3 (0.44) MAPTL3MBTL1MEN1KMT2ATDP1
SCHEMBL17152742 0.80 KCNQ3 (0.44) MAPTL3MBTL1MEN1KMT2AEGFR
SCHEMBL16044561 0.77 AGER (0.56) MAPTL3MBTL1MEN1KMT2AEGFR
SCHEMBL9681871 0.77 MAPT (0.43) MAPTL3MBTL1MEN1KMT2ATDP1
SCHEMBL11569274 0.77 ALDH1A1 (0.49) MAPTL3MBTL1MEN1KMT2ATDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128359-A Benzimidazole and azabenzimidazole derivatives which are thromboxane receptor antagonists, their methods of preparation LABORATOIRES UPSA (FR) 1992-07-07 US disclosed
US-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 US disclosed