SCHEMBL9375490

SCHEMBL9375490

NC(=O)COc1c[c]c[c]c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.38
TBXAS1 P24557 1/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
CYP19A1 P11511 2/20 0.34
PDK2 Q15119 1/20 0.34
ACACA Q13085 1/20 0.33
ALOX15 P16050 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
SCHEMBL7402959 0.81 ALOX15 (0.54) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL1569898 0.77 ALDH1A1 (0.40) MEN1KMT2APOLBBLMTDP1
SCHEMBL6999754 0.77 ALOX15 (0.41) MEN1KMT2APOLBBLMTDP1
SCHEMBL7400285 0.76 PTGS2 (0.45) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL196312 0.75 MEN1 (0.46) MEN1KMT2APOLBBLMTDP1
SCHEMBL10506137 0.75 MEN1 (0.58) MEN1KMT2APOLBBLMTDP1
SCHEMBL138162 0.70 ALOX15 (0.68) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL3999558 0.68 TDP1 (0.51) MEN1KMT2APOLBBLMTDP1
SCHEMBL10968827 0.68 CYP19A1 (0.59) MEN1KMT2APOLBBLMTDP1
SCHEMBL29145072 0.68 ALOX15 (0.65) MEN1KMT2AKDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351194-B1 Thiazole derivatives having a 5-lipoxygenase-inhibiting activity ICI PLC (GB) 1994-06-15 EP claimed
US-5196422-A Antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-03-23 US claimed
US-5089513-A Antiinflammatory agents; antiallergens; asthma; side effect reduction ICI PHARMA (FR) 1992-02-18 US claimed
EP-0351194-A2 Thiazole derivatives having a 5-lipoxygenase-inhibiting activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-17 EP claimed
EP-0351194-B1 Thiazole derivatives having a 5-lipoxygenase-inhibiting activity ICI PLC (GB) 1994-06-15 EP disclosed
US-5196422-A Antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-03-23 US disclosed
US-5089513-A Antiinflammatory agents; antiallergens; asthma; side effect reduction ICI PHARMA (FR) 1992-02-18 US disclosed
EP-0351194-A2 Thiazole derivatives having a 5-lipoxygenase-inhibiting activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-17 EP disclosed