SCHEMBL10878260

SCHEMBL10878260

CNc1cc(NC)nc(SC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ NOS3 P29474 1/20 0.43
▸ NOS2 P35228 1/20 0.43
▸ LMNA P02545 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.36
▸ NUDT1 P36639 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ ADORA3 P0DMS8 2/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL12781970 0.89 MEN1 (0.41) MEN1KMT2ANOS3NOS2LMNA
SCHEMBL3461179 0.87 MEN1 (0.39) MEN1KMT2ANOS3NOS2LMNA
SCHEMBL3461180 0.87 KMT2A (0.59) MEN1KMT2ANOS3NOS2LMNA
SCHEMBL9413801 0.85 MEN1 (0.41) MEN1KMT2ANOS3NOS2LMNA
SCHEMBL2614898 0.85 KMT2A (0.57) MEN1KMT2ANOS3NOS2LMNA
SCHEMBL16302718 0.83 ADORA3 (0.57) MEN1KMT2AKDM4ENUDT1CYP1A2
SCHEMBL12859522 0.78 NUDT1 (0.64) KMT2ALMNAKDM4ESMN1; SMN2HTT
SCHEMBL5914036 0.73 MEN1 (0.51) MEN1KMT2ALMNAKDM4EGAA
SCHEMBL11445700 0.70 MAPT (0.50) NOS3NOS2KDM4ENPSR1NUDT1
SCHEMBL17812892 0.70 NOS3 (0.54) NOS3NOS2GAASMN1; SMN2NUDT1

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-0065811-B1 DISPERSE AZOPYRIMIDINE DYESTUFFS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-02 — — EP disclosed
EP-0065811-A1 Disperse azopyrimidine dyestuffs IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-01 — — EP disclosed
Send feedback