SCHEMBL5028997

SCHEMBL5028997

Cc1ccc(C(C=S)N2CCOCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
ADRB2 P07550 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 5/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
POLB P06746 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 2/20 0.38
P2RX7 Q99572 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
AGTR1 P30556 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5029175 0.83 KCNA5 (0.49) SMN1; SMN2TSHRHTTALDH1A1POLB
SCHEMBL5033385 0.80 KDM4E (0.44) SMN1; SMN2HTTALDH1A1POLBHPGD
SCHEMBL7854201 0.74 SMN1; SMN2 (0.45) SMN1; SMN2ADRB2TSHRHTTALDH1A1
SCHEMBL21438215 0.72 L3MBTL1 (0.45) SMN1; SMN2TSHRHTTALDH1A1HPGD
SCHEMBL5027031 0.72 KCNA5 (0.50) SMN1; SMN2TSHRALDH1A1POLBKMT2A
SCHEMBL11504155 0.70 GRM5 (0.46) SMN1; SMN2ADRB2TSHRHTTALDH1A1
SCHEMBL15797437 0.70 ALDH1A1 (0.72) SMN1; SMN2ADRB2TSHRHTTALDH1A1
SCHEMBL15797503 0.70 DPP4 (0.53) SMN1; SMN2ADRB2TSHRHTTALDH1A1
SCHEMBL15797501 0.68 TSHR (0.59) SMN1; SMN2ADRB2TSHRHTTALDH1A1
SCHEMBL11989196 0.68 MAPT (0.47) SMN1; SMN2ADRB2TSHRHTTALDH1A1

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
EP-2007393-A2 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS Board Of Supervisors Of Louisiana State University And Agricultural And Mechanical College (US) 2008-12-31 EP disclosed
WO-2007118149-A2 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL LOLLEGE (US) 2007-10-18 WO disclosed