SCHEMBL16546593

SCHEMBL16546593

Cc1ccc(-c2ccc(OC(C)(F)F)cc2)s1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 6/20 0.44
▸ ERCC5 P28715 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ PGR P06401 1/20 0.38
▸ KCNH2 Q12809 3/20 0.36
▸ SCN10A Q9Y5Y9 3/20 0.36
▸ SCN1A P35498 1/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ SCN8A Q9UQD0 1/20 0.36
▸ CHEK1 O14757 1/20 0.35
▸ P2RX3 P56373 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ TNFRSF1A P19438 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ F2RL3 Q96RI0 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL10740463 0.81 APP (0.43) APPERCC5FEN1PGRSCN9A
SCHEMBL21134077 0.77 APP (0.40) APPERCC5FEN1KCNH2SCN10A
SCHEMBL9927249 0.77 APP (0.48) APPPGRCNR1HTR1DHTR1B
SCHEMBL16546586 0.77 PGR (0.41) APPPGRCNR1HTR1DHTR1B
SCHEMBL1105472 0.76 APP (0.76) APPPGRKCNH2
SCHEMBL16546598 0.75 CYP2D6 (0.36) APPERCC5FEN1PGRCNR1
SCHEMBL10300218 0.74 APP (0.46) APPPGRCNR1HTR1DHTR1B
SCHEMBL13424304 0.74 APP (0.46) APPPGRCNR1HTR1DHTR1B
SCHEMBL22022374 0.74 APP (0.39) APPERCC5FEN1KCNH2SCN10A
SCHEMBL5050187 0.74 KIF11 (0.47) PGR

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
US-9290516-B2 Benzobis(thiadiazole) derivative and organic electronics device comprising same UBE INDUSTRIES, LTD. (JP) 2016-03-22 — — US disclosed
US-20150059853-A1 BENZOBIS(THIADIAZOLE) DERIVATIVE AND ORGANIC ELECTRONICS DEVICE COMPRISING SAME FUTURE INK CORPORATION (JP) 2015-03-05 — — US disclosed
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