SCHEMBL9526863

SCHEMBL9526863

O=C(O)NNC(=S)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPT P10636 1/20 0.60
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
KDM4E B2RXH2 1/20 0.50
XBP1 P17861 1/20 0.50
ALOX12 P18054 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
MAPK8 P45983 1/20 0.48
FFAR4 Q5NUL3 3/20 0.48
FFAR1 O14842 2/20 0.48
NR4A2 P43354 2/20 0.48
MLYCD O95822 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
SMYD3 Q9H7B4 1/20 0.47
ACP3 P15309 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
CSNK1D P48730 1/20 0.46

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
SCHEMBL21981024 0.85 MEN1 (0.68) MEN1KMT2AMAPTHDAC1HDAC8
SCHEMBL28036041 0.79 MLYCD (0.54) MEN1KMT2AMAPTFFAR4FFAR1
SCHEMBL378581 0.78 MEN1 (0.65) MEN1KMT2AMAPTHDAC1HDAC8
SCHEMBL29935522 0.78 MEN1 (0.65) MEN1KMT2AMAPTHDAC1HDAC8
SCHEMBL9532375 0.78 ALDH1A1 (0.50) MEN1KMT2AHDAC8ALDH1A1
SCHEMBL9528758 0.77 MEN1 (0.57) MEN1KMT2AMAPTHDAC1HDAC8
Hydrochloric Acid SCHEMBL2525493 0.77 MEN1 (0.63) MEN1KMT2AMAPTHDAC1HDAC8
SCHEMBL15848569 0.77 MEN1 (0.60) MEN1KMT2AMAPTKDM4EXBP1
SCHEMBL6865758 0.76 MEN1 (0.62) MEN1KMT2AMAPTHDAC1HDAC8
SCHEMBL3467914 0.76 MEN1 (0.59) MEN1KMT2AMAPTHDAC1HDAC8

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