SCHEMBL8214845

SCHEMBL8214845

C=CCN(c1ncncn1)c1nc2ccccc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 3/20 0.38
NPC1 O15118 6/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HDAC1 Q13547 2/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
UBE2T Q9NPD8 1/20 0.35
ASIC3 Q9UHC3 1/20 0.35

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
SCHEMBL11381000 0.76 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNAMEN1MAPT
SCHEMBL16705642 0.75 ALDH1A1 (0.46) ALDH1A1L3MBTL1LMNAMEN1MAPT
SCHEMBL712848 0.68 ALDH1A1 (0.53) ALDH1A1L3MBTL1LMNAMEN1MAPT
SCHEMBL9418730 0.68 L3MBTL1 (0.45) ALDH1A1L3MBTL1LMNAMEN1MAPT
SCHEMBL7688548 0.68 TRPM8 (0.30)
SCHEMBL15722528 0.67 L3MBTL1 (0.44) ALDH1A1L3MBTL1LMNAMEN1MAPT
SCHEMBL4556011 0.65 NPC1 (0.47) ALDH1A1L3MBTL1LMNAMEN1MAPT
SCHEMBL5187182 0.65 HDAC1 (0.47) ALDH1A1L3MBTL1LMNAMEN1HTT
SCHEMBL10831847 0.64 KMT2A (0.61) ALDH1A1L3MBTL1LMNAMEN1MAPT
SCHEMBL5185953 0.64 HDAC1 (0.49) ALDH1A1L3MBTL1LMNAMEN1HTT

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
WO-2000047579-A1 SUBSTITUTED BENZTHIAZOLYLALKYLAMINO-1,3,5-TRIAZINES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-08-17 WO disclosed
WO-2000047579-A1 SUBSTITUTED BENZTHIAZOLYLALKYLAMINO-1,3,5-TRIAZINES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-08-17 WO disclosed