SCHEMBL7789783

SCHEMBL7789783

BrCc1ccc(C2=NCCO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
LTA4H P09960 1/20 0.43
LSS P48449 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACKR3 P25106 1/20 0.33
SCARB1 Q8WTV0 1/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL132013 0.84 KCNH2 (0.49) KCNH2HRH3LTA4HLSSSMN1; SMN2
SCHEMBL8365860 0.81 KCNH2 (0.43) KCNH2HRH3LTA4HLSSACKR3
SCHEMBL668013 0.81 NISCH (0.46) KCNH2HRH3LTA4HSMN1; SMN2ALDH1A1
SCHEMBL27466866 0.81 HRH3 (0.46) KCNH2HRH3LTA4HSMN1; SMN2ALDH1A1
SCHEMBL2045962 0.79 NISCH (0.49) KCNH2HRH3LTA4HSMN1; SMN2
SCHEMBL8143013 0.79 KCNH2 (0.42) KCNH2HRH3LTA4HLSSACKR3
SCHEMBL3607804 0.79 ALDH1A1 (0.47) KCNH2HRH3LTA4HLSSSMN1; SMN2
SCHEMBL20410837 0.76 KCNH2 (0.44) KCNH2HRH3LTA4HLSSSMN1; SMN2
SCHEMBL10520360 0.76 KCNH2 (0.48) KCNH2HRH3LTA4HLSSSMN1; SMN2
SCHEMBL9475161 0.76 KCNH2 (0.44) KCNH2HRH3LTA4HLSSSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6251898-B1 Medical use of fluorenone derivatives for treating and preventing brain and spinal injury QUESTCOR PHARMACEUTICALS, INC. 2001-06-26 US disclosed
WO-2001014334-A1 FLUORENONE COMPOUNDS WITH MODIFIED 7-POSITION SUBSTITUENTS FOR TREATING AND PREVENTING BRAIN AND SPINAL INJURY QUESTCOR PHARMACEUTICALS, INC. (US) 2001-03-01 WO disclosed
EP-0397276-B1 Functionalized elastomeric polymers SHELL INT RESEARCH (NL) 1995-07-26 EP disclosed
US-5015695-A Producing heat-curable elastomer from elastomer with two or more pendant carboxylates and propargyl, styrylmethyl or 4-/2-oxazolinyl/benzyl halide in polar diluent SHELL OIL COMPANY (US) 1991-05-14 US disclosed
US-4978719-A HAVING PENDANT CARBOXYLIC ACID ESTER GROUP WITH REACTIVE UNSATURATION; SUCH AS PROPARGYL, STYRYLMETHYL OR 4-/2-OXAZO-LINYL/BENZYL; SELF-CURING SHELL OIL COMPANY (US) 1990-12-18 US disclosed
EP-0397276-A2 Functionalized elastomeric polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-11-14 EP disclosed