SCHEMBL7049303

SCHEMBL7049303

Clc1ccc(C#CCCCI)cc1.OCCCC#Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 2/20 0.42
▸ GABRD O14764 2/20 0.42
▸ GABRA1 P14867 2/20 0.42
▸ GABRB1 P18505 2/20 0.42
▸ GABRG2 P18507 2/20 0.42
▸ GABRB3 P28472 2/20 0.42
▸ GABRA5 P31644 2/20 0.42
▸ GABRA3 P34903 2/20 0.42
▸ GABRA2 P47869 2/20 0.42
▸ GABRB2 P47870 2/20 0.42
▸ GABRA4 P48169 2/20 0.42
▸ GABRE P78334 2/20 0.42
▸ GABRA6 Q16445 2/20 0.42
▸ GABRG1 Q8N1C3 2/20 0.42
▸ GABRG3 Q99928 2/20 0.42
▸ GABRQ Q9UN88 2/20 0.42
▸ DRD2 P14416 2/20 0.40
▸ EGFR P00533 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ KCNH2 Q12809 3/20 0.36

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
SCHEMBL6300169 0.91 LMNA (0.41) DRD2LMNAKCNH2HRH3FFAR1
SCHEMBL6304808 0.91 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6796098 0.86 KDM4E (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6788836 0.84 KDM4E (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9663162 0.80 LMNA (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18453785 0.78 KDM4E (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12185482 0.77 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18452361 0.76 KDM4E (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11549533 0.75 LMNA (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9671501 0.74 KDM4E (0.52) GABRPGABRDGABRA1GABRB1GABRG2

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
WO-2003018554-A1 3-SUBSTITUTED-3-(SUBSTITUTEDSULFONYL OR SULFANYL)PYRROLIDINE-2,5-DIONES USEFUL FOR INHIBITION OF FARNESYL-PROTEIN TRANSFERASE WYETH HOLDINGS CORPORATION (US) 2003-03-06 — — WO disclosed
WO-2003018135-A1 METHOD OF USING 5-(ARYLSULFONYL)-,5-(ARYLSULFINYL), AND 5-(ARYLSULFANYL)-THIAZOLIDINE-2,4-DIONES FOR INHIBITION OF FARNESYL-PROTEIN TRANSFERASE WYETH HOLDINGS CORPORATION (US) 2003-03-06 — — WO disclosed
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