SCHEMBL9682901

SCHEMBL9682901

Nc1cc(Cl)ccc1NCc1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
AKR1B1 P15121 1/20 0.40
AGER Q15109 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
APP P05067 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EGFR P00533 2/20 0.38
PKM P14618 1/20 0.38
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL9681992 0.90 HDAC8 (0.42) MAPTL3MBTL1MEN1KMT2ATDP1
SCHEMBL9683129 0.90 MAPT (0.47) MAPTL3MBTL1MEN1KMT2ATDP1
SCHEMBL11569274 0.84 ALDH1A1 (0.49) MAPTL3MBTL1MEN1KMT2ATDP1
SCHEMBL11274390 0.83 PKM (0.52) MAPTAPPALDH1A1SMN1; SMN2PKM
SCHEMBL9683512 0.81 TP53 (0.46) TSHRALDH1A1GAATP53
SCHEMBL20715674 0.81 HDAC8 (0.42) MAPTL3MBTL1MEN1KMT2AHDAC8
SCHEMBL16044561 0.81 AGER (0.56) MAPTL3MBTL1MEN1KMT2AAGER
SCHEMBL9681871 0.81 MAPT (0.43) MAPTL3MBTL1MEN1KMT2ATDP1
SCHEMBL9683493 0.80 MEN1 (0.59) MAPTL3MBTL1MEN1KMT2ATDP1
SCHEMBL9683167 0.80 HTT (0.51) MAPTL3MBTL1MEN1KMT2ASMN1; 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 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