SCHEMBL5309787

SCHEMBL5309787

O=C(S)c1cc2ccccc2o1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.71
NPC1 O15118 8/20 0.62
RAB9A P51151 7/20 0.62
MAPK1 P28482 3/20 0.62
TSHR P16473 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
SMN1; SMN2 Q16637 5/20 0.57
TP53 P04637 2/20 0.57
PKM P14618 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
MAPT P10636 6/20 0.56
ALDH1A1 P00352 5/20 0.56
HPGD P15428 4/20 0.56
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
STK17B O94768 1/20 0.54
ALOX15 P16050 1/20 0.54

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
SCHEMBL244107 0.83 FLT3 (1.00) FLT3NPC1RAB9AMAPK1TSHR
SCHEMBL31061078 0.83 FLT3 (1.00) FLT3NPC1RAB9AMAPK1TSHR
Benzene SCHEMBL28107977 0.82 FLT3 (0.74) FLT3NPC1RAB9AMAPK1TSHR
SCHEMBL29460209 0.82 FLT3 (0.74) FLT3NPC1RAB9AMAPK1TSHR
SCHEMBL29496924 0.82 FLT3 (0.74) FLT3NPC1RAB9AMAPK1TSHR
SCHEMBL649402 0.82 FLT3 (0.74) FLT3NPC1RAB9AMAPK1TSHR
SCHEMBL5366245 0.82 FLT3 (0.74) FLT3NPC1RAB9AMAPK1TSHR
SCHEMBL155789 0.82 FLT3 (0.74) FLT3NPC1RAB9AMAPK1TSHR
SCHEMBL28117952 0.81 FLT3 (0.67) FLT3NPC1RAB9AMAPK1TSHR
Hydrochloric Acid SCHEMBL5981164 0.80 FLT3 (0.71) FLT3NPC1RAB9AMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070212705-A1 PSEUDOMONAS AERUGINOSA L-D CARBOXYPEPTIDASE A, EXPRESSION AND ACTIVITY JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-13 US claimed
WO-2007050513-A2 PSEUDOMONAS AERUGINOSA L-D CARBOXYPEPTIDASE A, EXPRESSION AND ACTIVITY JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-03 WO claimed
US-20070212705-A1 PSEUDOMONAS AERUGINOSA L-D CARBOXYPEPTIDASE A, EXPRESSION AND ACTIVITY JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-13 US disclosed
WO-2007050513-A2 PSEUDOMONAS AERUGINOSA L-D CARBOXYPEPTIDASE A, EXPRESSION AND ACTIVITY JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-03 WO disclosed
WO-1996016981-A2 PEPTIDE COMPOUNDS FOR PREVENTION AND/OR TREATMENT OF NO-MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-06 WO disclosed