SCHEMBL29287089

SCHEMBL29287089

Cc1ccc(Oc2ccc3ccccc3n2)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.43
▸ TDP1 Q9NUW8 6/20 0.43
▸ HPGD P15428 6/20 0.43
▸ L3MBTL1 Q9Y468 5/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CYP1A2 P05177 3/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ PRKAG1 P54619 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ PRKAB1 Q9Y478 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ NQO2 P16083 1/20 0.39
▸ CYP2A6 P11509 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
SCHEMBL29287087 0.84 NPC1 (0.47) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL18796013 0.81 HTT (0.60) MAPTTDP1HPGDL3MBTL1NPC1
SCHEMBL29287094 0.77 NQO2 (0.46) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL18796236 0.76 NQO2 (0.44) MAPTTDP1HPGDL3MBTL1NPC1
SCHEMBL27666105 0.74 SMN1; SMN2 (0.61) MAPTHPGDL3MBTL1NPC1RAB9A
SCHEMBL12386818 0.74 HTT (0.63) MAPTHPGDL3MBTL1NPC1RAB9A
SCHEMBL27645181 0.74 MAP4K4 (0.53) MAPTTDP1HPGDL3MBTL1NPC1
SCHEMBL30811086 0.73 TDP1 (0.58) MAPTTDP1HPGDL3MBTL1NPC1
SCHEMBL2400792 0.73 TDP1 (0.58) MAPTTDP1HPGDL3MBTL1NPC1
SCHEMBL31498821 0.73 NCF1 (0.50) MAPTHPGDNPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110256451-B Synthetic method of benzofuro [2,3-b ] quinoline derivative 河南省科学院化学研究所有限公司 2021-09-03 — — CN disclosed
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