SCHEMBL9565640

SCHEMBL9565640

C=CCSc1cccnc1-c1ncncn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 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
SCHEMBL9565644 0.72 CYP1A2 (0.33) L3MBTL1PKMSMN1; SMN2CYP1A2CYP3A4
SCHEMBL254265 0.71 KDM4E (0.49) L3MBTL1PKMSMN1; SMN2CYP1A2MEN1
SCHEMBL5139545 0.71 L3MBTL1 (0.42) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10351891 0.68 MEN1 (0.48) L3MBTL1SMN1; SMN2CYP3A4MEN1KMT2A
SCHEMBL18784165 0.68 ALDH1A1 (0.46) L3MBTL1PKMSMN1; SMN2CYP1A2CYP3A4
SCHEMBL1950950 0.67 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL8602056 0.67 LMNA (0.40) L3MBTL1SMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL9247605 0.67 L3MBTL1 (0.36) L3MBTL1PKMSMN1; SMN2CYP1A2CYP3A4
SCHEMBL9986851 0.66 KDM4E (0.44) L3MBTL1PKMSMN1; SMN2CYP1A2MEN1
SCHEMBL27690425 0.66 L3MBTL1 (0.44) L3MBTL1PKMSMN1; SMN2CYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0529468-A1 Substituted pyridyltriazines, process for their preparation, their use and intermediates BAYER AG (DE) 1993-03-03 EP claimed
US-5240926-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1993-08-31 US disclosed
EP-0529468-A1 Substituted pyridyltriazines, process for their preparation, their use and intermediates BAYER AG (DE) 1993-03-03 EP disclosed