SCHEMBL28555372

SCHEMBL28555372

C(=Cc1[nH]c2ccccc2c1C=Cc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.50
▸ RAB9A P51151 9/20 0.50
▸ MEN1 O00255 7/20 0.50
▸ KMT2A Q03164 7/20 0.50
▸ MAPT P10636 5/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ ALPG P10696 1/20 0.50
▸ ALK Q9UM73 1/20 0.50
▸ KDM4E B2RXH2 4/20 0.46
▸ GLA P06280 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HPGD P15428 2/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ PKM P14618 1/20 0.42

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
SCHEMBL18157755 1.00 NPC1 (0.50) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL18157762 0.91 ALK (0.50) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL18160186 0.91 NPC1 (0.50) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL18157739 0.91 MAPT (0.49) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL18160289 0.91 NFE2L2 (0.55) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL18157733 0.91 NFE2L2 (0.55) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL18157735 0.91 NPC1 (0.50) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL18180644 0.91 MAPT (0.49) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5636833 0.88 MEN1 (0.46) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5636837 0.88 MEN1 (0.46) NPC1RAB9AMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109678862-B Preparation method of polysubstituted distyryl indole derivative 青岛科技大学 2021-04-27 — — CN claimed
CN-109678862-B Preparation method of polysubstituted distyryl indole derivative 青岛科技大学 2021-04-27 — — CN disclosed
CN-109678862-B Preparation method of polysubstituted distyryl indole derivative 青岛科技大学 2021-04-27 — — CN disclosed
CN-109678862-B Preparation method of polysubstituted distyryl indole derivative 青岛科技大学 2021-04-27 — — CN disclosed
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