SCHEMBL8844992

SCHEMBL8844992

CC(N)(CCCNC(N)=S)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.47
ARG2 P78540 1/20 0.47
GGT1 P19440 1/20 0.43
KDM4C Q9H3R0 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NOS2 P35228 4/20 0.32
NOS1 P29475 2/20 0.32
NOS3 P29474 1/20 0.32
BLM P54132 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL1504428 0.85 ARG1 (0.50) ARG1ARG2GGT1KDM4CMEN1
SCHEMBL1455221 0.85 ARG1 (0.50) ARG1ARG2GGT1KDM4CMEN1
SCHEMBL20978268 0.85 ARG1 (0.50) ARG1ARG2GGT1KDM4CMEN1
SCHEMBL161929 0.82 ARG1 (0.47) ARG1ARG2GGT1KDM4CMEN1
SCHEMBL202490 0.82 ARG1 (0.47) ARG1ARG2GGT1KDM4CMEN1
SCHEMBL6431682 0.82 ARG1 (0.47) ARG1ARG2GGT1KDM4CMEN1
Hydrochloric Acid SCHEMBL11674300 0.81 ARG1 (0.46) ARG1ARG2GGT1KDM4CMEN1
Hydrochloric Acid SCHEMBL11674295 0.81 ARG1 (0.46) ARG1ARG2GGT1KDM4CMEN1
SCHEMBL31370370 0.80 ARG1 (0.53) ARG1ARG2GGT1KDM4CMEN1
SCHEMBL28429572 0.80 ARG1 (0.53) ARG1ARG2GGT1KDM4CMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663364-A Heme binding compounds and use thereof THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) 1997-09-02 US disclosed
EP-0707577-A4 HEME BINDING COMPOUNDS AND USE THEREOF WISCONSIN MED COLLEGE INC (US) 1996-11-06 EP disclosed
EP-0707577-A1 HEME BINDING COMPOUNDS AND USE THEREOF MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) 1996-04-24 EP disclosed
US-5464858-A Heme binding compounds and use thereof THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) 1995-11-07 US disclosed
US-5424447-A Heme binding compounds and use thereof THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) 1995-06-13 US disclosed
WO-1995001972-A1 HEME BINDING COMPOUNDS AND USE THEREOF THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) 1995-01-19 WO disclosed