SCHEMBL28614673

SCHEMBL28614673

O=[N+]([O-])c1ccccc1N(Br)Cc1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 6/20 0.46
TSHR P16473 1/20 0.46
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.39
IDO1 P14902 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TXNRD1 Q16881 1/20 0.38
SLC6A4 P31645 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
SCHEMBL1552966 0.78 KMT2A (0.49) MAPTL3MBTL1MAPK1CYP2D6CYP2C19
SCHEMBL7324184 0.75 SMN1; SMN2 (0.46) MAPTL3MBTL1MAPK1SMN1; SMN2NPC1
SCHEMBL7324191 0.72 SMN1; SMN2 (0.43) MAPTL3MBTL1MAPK1SMN1; SMN2NPC1
SCHEMBL7833774 0.71 HSD17B10 (0.48) L3MBTL1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL28196510 0.71 HSD17B10 (0.42) MAPTNPC1RAB9AALDH1A1TSHR
SCHEMBL2676616 0.70 HPGD (0.47) MAPTL3MBTL1MAPK1SMN1; SMN2NPC1
SCHEMBL27758107 0.70 MAPT (0.42) MAPTMAPK1SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL29962795 0.69 HPGD (0.62) MAPTL3MBTL1MAPK1SMN1; SMN2NPC1
SCHEMBL78743 0.69 HPGD (0.62) MAPTL3MBTL1MAPK1SMN1; SMN2NPC1
SCHEMBL27873887 0.69 HPGD (0.62) MAPTL3MBTL1MAPK1SMN1; SMN2NPC1

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-113329996-A Compounds and methods for treating hedgehog pathway related disorders 苏州麦迪耐斯医药科技有限公司 2021-08-31 CN disclosed