SCHEMBL9529403

SCHEMBL9529403

O=C(O)NNC(=S)Cc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
ADAMTS5 Q9UNA0 1/20 0.47
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
CTBP2 P56545 1/20 0.46
NLRP3 Q96P20 1/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 2/20 0.44
HPGD P15428 2/20 0.44
PIK3CA P42336 2/20 0.44
CNR2 P34972 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL9563816 0.84 L3MBTL1 (0.49) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL9532375 0.83 ALDH1A1 (0.50) MEN1KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL9531767 0.82 GAA (0.51) KMT2AALDH1A1NPC1RAB9ACTBP2
SCHEMBL21981017 0.81 MEN1 (0.71) MEN1KMT2AADAMTS5ALDH1A1NPC1
SCHEMBL9529170 0.78 ESRRG (0.51) ALDH1A1NPC1RAB9ANLRP3LMNA
SCHEMBL9527224 0.78 HTT (0.60) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL10653693 0.73 ALDH1A1 (0.42) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL28117554 0.73 IDO1 (0.47) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL75665 0.72 CA2 (0.62) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL4592244 0.72 CTBP2 (0.48) MEN1KMT2AALDH1A1NPC1RAB9A

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
EP-0252474-B1 HYDRAZINE DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1993-04-21 EP disclosed
EP-0525832-A1 Substituted 1,2,3- thiadiazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1993-02-03 EP disclosed
US-4916237-A Substituted 1,2,3-thiadiazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1990-04-10 US disclosed
US-4803280-A Substituted 1,2,3-thia-diazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1989-02-07 US disclosed
EP-0252474-A2 Hydrazine derivatives AMERICAN CYANAMID COMPANY (US) 1988-01-13 EP disclosed