SCHEMBL16272835

SCHEMBL16272835

C(=C/c1ccc2ccc3cccc4ccc1c2c34)\c1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ LMNA P02545 1/20 0.48
▸ NPC1 O15118 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP1A1 P04798 5/20 0.41
▸ CYP1B1 Q16678 5/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ GUSB P08236 1/20 0.40
▸ CHAT P28329 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ NPY1R P25929 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
SCHEMBL31550573 1.00 MAPT (0.48) MAPTLMNANPC1GFERHSD17B10
SCHEMBL31550565 1.00 MAPT (0.48) MAPTLMNANPC1GFERHSD17B10
SCHEMBL32689415 0.93 MAPT (0.49) MAPTLMNANPC1GFERHSD17B10
SCHEMBL29069515 0.91 CHEK1 (0.43) MAPTLMNACYP1A1CYP1B1CYP1A2
SCHEMBL29069512 0.91 CHEK1 (0.43) MAPTLMNACYP1A1CYP1B1CYP1A2
SCHEMBL9099842 0.88 ALDH1A1 (0.45) HSD17B10CYP1A1CYP1B1CYP1A2GUSB
SCHEMBL9407210 0.88 ALDH1A1 (0.45) HSD17B10CYP1A1CYP1B1CYP1A2GUSB
SCHEMBL31550572 0.84 RELA (0.46) LMNANPC1HSD17B10KDM4ECYP1A1
SCHEMBL131581 0.84 RELA (0.46) LMNANPC1HSD17B10KDM4ECYP1A1
SCHEMBL131580 0.84 RELA (0.46) LMNANPC1HSD17B10KDM4ECYP1A1

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
US-20140357503-A1 METHOD AND ARRAY FOR IDENTIFYING HISTONE-CODE-RELATED ANALYTES UVIC INDUSTRY PARTNERSHIPS INC. (CA) 2014-12-04 — — US disclosed
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