SCHEMBL9628673

SCHEMBL9628673

CCc1ccccc1OC(=O)c1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 1/20 0.45
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SLC6A4 P31645 1/20 0.43
APLNR P35414 1/20 0.42
TSHR P16473 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ELANE P08246 1/20 0.42
GSK3B P49841 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL29412194 0.82 KMT2A (0.59) KMT2ANPSR1MAPTTSHRTDP1
SCHEMBL434556 0.82 KMT2A (0.59) KMT2ANPSR1MAPTTSHRTDP1
SCHEMBL28565017 0.81 ALDH1A1 (0.56) KMT2ANPSR1MAPTALDH1A1TSHR
SCHEMBL10919965 0.81 ESR1 (0.51) KMT2ANPSR1MAPTALDH1A1TSHR
SCHEMBL4650752 0.79 CYP2A6 (0.59) CYP2A6KMT2ARAB9AMAPTALDH1A1
SCHEMBL11415030 0.78 NPC1 (0.47) KMT2ARAB9AMAPTALDH1A1TSHR
SCHEMBL28321543 0.77 POLB (0.59) KMT2ANPSR1MAPTALDH1A1L3MBTL1
SCHEMBL10924560 0.76 KMT2A (0.47) KMT2ANPSR1MAPTTSHRTDP1
SCHEMBL12736312 0.75 CYP2A6 (0.54) CYP2A6RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL4814349 0.74 ALDH1A1 (0.58) KMT2AMAPTALDH1A1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5124342-A Antiinflammatory, antiarthritic agents; antiallergens; skin disorders ABBOTT LABORATORIES (US) 1992-06-23 US disclosed
EP-0457803-A4 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS 1991-12-04 EP disclosed
EP-0457803-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1991-11-27 EP disclosed
WO-1990009801-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1990-09-07 WO disclosed
WO-1990009381-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1990-08-23 WO disclosed