Thiourea

Thiourea

SCHEMBL6167559

Cc1cc(-c2csc(N)n2)ccc1O.NC(N)=S

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.57
MKNK1 Q9BUB5 1/20 0.57
MKNK2 Q9HBH9 1/20 0.57
ALDH1A1 P00352 9/20 0.51
MAPT P10636 6/20 0.51
KDM4E B2RXH2 4/20 0.51
POLB P06746 2/20 0.51
GAA P10253 2/20 0.51
RECQL P46063 2/20 0.51
HPGD P15428 2/20 0.51
ESR2 Q92731 1/20 0.51
NOS1 P29475 1/20 0.51
PLAU P00749 1/20 0.50
RAB9A P51151 7/20 0.49
NPC1 O15118 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
GFER P55789 2/20 0.49

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
SCHEMBL4704845 0.94 LTA4H (0.59) LTA4HMKNK1MKNK2ALDH1A1MAPT
SCHEMBL10242015 0.80 GAA (0.78) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL7236001 0.79 ALDH1A1 (0.59) LTA4HMKNK1MKNK2ALDH1A1MAPT
SCHEMBL29276767 0.79 ALDH1A1 (0.67) LTA4HMKNK1MKNK2ALDH1A1MAPT
SCHEMBL2762257 0.75 MPL (0.63) LTA4HMKNK1MKNK2ALDH1A1MAPT
SCHEMBL10200395 0.75 LTA4H (0.59) LTA4HMKNK1MKNK2ALDH1A1MAPT
SCHEMBL10315917 0.75 LTA4H (0.59) LTA4HMKNK1MKNK2ALDH1A1MAPT
SCHEMBL10315892 0.75 LTA4H (0.59) LTA4HMKNK1MKNK2ALDH1A1MAPT
SCHEMBL16346609 0.75 RAB9A (0.57) LTA4HMKNK1MKNK2ALDH1A1MAPT
SCHEMBL127798 0.75 ABL1 (0.58) LTA4HMKNK1MKNK2ALDH1A1MAPT

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-1506195-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2005-02-16 EP disclosed
WO-2003097644-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-11-27 WO disclosed