SCHEMBL7751585

SCHEMBL7751585

N=C(N)NC(=N)NCCCCSc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL8079534 0.78 L3MBTL1 (0.49) MTNR1AMTNR1BKMT2ARECQLCYP2D6
SCHEMBL7838315 0.75 L3MBTL1 (0.51) KMT2ANPC1RAB9APOLBCYP2D6
SCHEMBL3070655 0.75 MEN1 (0.43) KMT2ASMN1; SMN2CYP1A2MEN1
SCHEMBL8114563 0.74 EPHX2 (0.44) RAB9ASMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL7846083 0.74 L3MBTL1 (0.50) KMT2ANPC1RAB9APOLBCYP2D6
SCHEMBL6985119 0.73 HDAC3 (0.59) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL24461915 0.73 SMN1; SMN2 (0.47) ALDH1A1KMT2ASMN1; SMN2MAPK1CYP1A2
SCHEMBL3071899 0.73 SMN1; SMN2 (0.47) ALDH1A1KMT2ASMN1; SMN2MAPK1CYP1A2
SCHEMBL24461912 0.73 SMN1; SMN2 (0.47) ALDH1A1KMT2ASMN1; SMN2MAPK1CYP1A2
SCHEMBL3084829 0.73 SMN1; SMN2 (0.47) ALDH1A1KMT2ASMN1; SMN2MAPK1CYP1A2

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-1064271-A1 2- (2-ARYLTHIOETHYL)AMINO]-4-AMINO-1,3,5-TRIAZINES USED AS HERBICIDES BAYER AG (DE) 2001-01-03 EP disclosed
WO-1999048877-A1 2-[(2-ARYLTHIOETHYL)AMINO]-4-AMINO-1,3,5-TRIAZINES USED AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-09-30 WO disclosed