SCHEMBL8725873

SCHEMBL8725873

[c]1ccc(-c2ccncc2)s1.[c]1ccc(-c2ccncc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
LMNA P02545 1/20 0.43
NOTUM Q6P988 1/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL3135748 1.00 MAPT (0.43) MAPTLMNANOTUMKDM4ECYP1A2
SCHEMBL6381131 0.77 CYP2A6 (0.54) MAPTLMNAKDM4ECYP1A2CYP3A4
SCHEMBL385688 0.76 ALDH1A1 (0.38) CYP3A4CYP2C9CYP2C19HDAC1NPC1
SCHEMBL3608902 0.76 ATM (0.38)
SCHEMBL3612953 0.74 KDR (0.30)
SCHEMBL4410865 0.73 ALDH1A1 (0.41) NOTUMCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL208889 0.73 CYP1A2 (0.37) MAPTLMNANOTUMKDM4ECYP1A2
SCHEMBL195957 0.73 ESR1 (0.50) MAPTLMNAKDM4ECYP3A4HDAC3
SCHEMBL1416461 0.73 ACHE (0.36) MAPTLMNANOTUMKDM4ECYP2D6
SCHEMBL6546056 0.73 ALDH1A1 (0.37) MAPTSMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0668277-B1 Bipyridyl-oligothiophene derivatives as electron-conducting materials VALTION TEKNILLINEN (FI) 1998-11-04 EP claimed
EP-0668277-B1 Bipyridyl-oligothiophene derivatives as electron-conducting materials VALTION TEKNILLINEN (FI) 1998-11-04 EP disclosed