SCHEMBL7775723

SCHEMBL7775723

C=CCC(CC=C)([N]c1ccccc1)[N]c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8158593 0.70 ALDH1A1 (0.39) ALDH1A1TSHRKMT2ACYP3A4CYP2D6
SCHEMBL44664 0.70 ALDH1A1 (0.39) ALDH1A1TSHRKMT2ACYP3A4CYP2D6
SCHEMBL5712498 0.68 MAPT (0.40) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL5712499 0.68 MAPT (0.40) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL29935 0.67 TSHR (0.52) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL5690296 0.65 TSHR (0.55) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL1862170 0.65 TSHR (0.55) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL7740564 0.65 TSHR (0.55) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL3432626 0.64 TSHR (0.53) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL601038 0.64 TSHR (0.53) ALDH1A1TSHRHTTMAPTKMT2A

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
EP-1119587-A1 PAVEMENT MARKING COMPOSITION 3M Innovative Properties Company (US) 2001-08-01 EP claimed
WO-2000020481-A1 PAVEMENT MARKING COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-04-13 WO claimed
EP-1119586-A1 POLYFUNCTIONAL POLYMER 3M Innovative Properties Company (US) 2001-08-01 EP disclosed
WO-2000020482-A1 POLYFUNCTIONAL POLYMER 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-04-13 WO disclosed