SCHEMBL9249094

SCHEMBL9249094

CCCC#Cc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.46
LMNA P02545 1/20 0.44
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
TNK2 Q07912 1/20 0.38
AHR P35869 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
SCHEMBL9247329 0.89 KCNH2 (0.51) KCNH2LMNAGABRPGABRDGABRA1
SCHEMBL9248307 0.87 KCNH2 (0.54) KCNH2LMNATNK2MMP2MMP9
SCHEMBL9249053 0.84 KCNH2 (0.49) KCNH2LMNAGABRPGABRDGABRA1
SCHEMBL5886646 0.82 KCNH2 (0.55) KCNH2LMNAGABRPGABRDGABRA1
SCHEMBL20152451 0.81 TSHR (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9246426 0.81 GABRP (0.41) KCNH2GABRPGABRDGABRA1GABRB1
SCHEMBL11549533 0.81 LMNA (0.40) KCNH2LMNAGABRPGABRDGABRA1
SCHEMBL9249056 0.81 MCHR1 (0.48) KCNH2KDM4EMAPT
SCHEMBL9248158 0.80 RAB9A (0.49) KCNH2KDM4EMAPT
SCHEMBL5886641 0.79 KCNH2 (0.60) KCNH2LMNATNK2MMP2MMP9

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-5447657-A Liquid crystal compounds HOFFMANN-LA ROCHE INC. (US) 1995-09-05 US disclosed