SCHEMBL4021709

SCHEMBL4021709

Clc1ccc(SCCCBr)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 5/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
PKM P14618 1/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TP53 P04637 2/20 0.46
TEAD1 P28347 1/20 0.44
YAP1 P46937 1/20 0.44
TEAD4 Q15561 1/20 0.44

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
SCHEMBL11345894 0.94 KDM4E (0.51) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL7009525 0.92 HDAC3 (0.54) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL9671249 0.89 SLC2A1 (0.47) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL20448668 0.86 TEAD1 (0.47) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL9808024 0.86 KDM4E (0.59) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL9808069 0.86 KDM4E (0.55) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL9808062 0.81 TEAD1 (0.53) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL7414719 0.80 HDAC3 (0.54) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL10390452 0.80 RAB9A (0.48) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL9672124 0.79 SLC2A1 (0.44) KDM4EALDH1A1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009098455-A1 2- (9H-XANTHEN-9-YL) -OXAZOL DERIVATIVES AS M3 MUSCARINIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA AND CHRONIC OBSTRUCTIVE LUNG DISEASE ASTRAZENECA AB (SE) 2009-08-13 WO disclosed
WO-2009098455-A1 2- (9H-XANTHEN-9-YL) -OXAZOL DERIVATIVES AS M3 MUSCARINIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA AND CHRONIC OBSTRUCTIVE LUNG DISEASE ASTRAZENECA AB (SE) 2009-08-13 WO disclosed
WO-2008096128-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES 2 ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096128-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES 2 ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed