SCHEMBL10857097

SCHEMBL10857097

COC(=O)c1sc(OCCn2ccnc2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
TBXAS1 P24557 9/20 0.50
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.49
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 2/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL9768497 0.88 TBXAS1 (0.60) KMT2ATBXAS1KDM4EPKMLMNA
Hydrochloric Acid SCHEMBL10859852 0.87 TBXAS1 (0.59) KMT2ATBXAS1KDM4EPKMLMNA
SCHEMBL10891760 0.81 TBXAS1 (0.49) KMT2ATBXAS1KDM4EPKMLMNA
SCHEMBL10861223 0.80 KMT2A (0.53) KMT2ATBXAS1KDM4EPKMLMNA
SCHEMBL10859502 0.80 TBXAS1 (0.52) KMT2ATBXAS1KDM4ELMNAALDH1A1
Hydrochloric Acid SCHEMBL10888060 0.79 KDM4E (0.52) KMT2ATBXAS1KDM4EPKMLMNA
SCHEMBL10888480 0.77 TBXAS1 (0.49) KMT2ATBXAS1KDM4EPKMLMNA
SCHEMBL10955620 0.76 TBXAS1 (0.81) KMT2ATBXAS1ALDH1A1
SCHEMBL10861251 0.75 KMT2A (0.44) KMT2AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL5124845 0.75 MAPT (0.44) KMT2AKDM4EPKMLMNAHTT

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
US-4590203-A Derivatives of thiophene-2-carboxylic acid and their pharmaceutically acceptable acid or base addition salts and use in treatment of conditions caused by thromboxane A2 LAEVOSAN-GESELLSCHAFT M.B.H. & CO. KG (AT) 1986-05-20 US claimed
US-4590203-A Derivatives of thiophene-2-carboxylic acid and their pharmaceutically acceptable acid or base addition salts and use in treatment of conditions caused by thromboxane A2 LAEVOSAN-GESELLSCHAFT M.B.H. & CO. KG (AT) 1986-05-20 US disclosed