SCHEMBL9749082

SCHEMBL9749082

C=CCOC(=N)Nc1nc(Cl)cc(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AGPAT2 O15120 1/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31

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
SCHEMBL9749074 0.81 MAPT (0.41) MEN1KMT2AALDH1A1KDM4E
SCHEMBL9739607 0.74 S1PR2 (0.35) KMT2AKDM4E
SCHEMBL7235960 0.67 MEN1 (0.49) MEN1KMT2AAGPAT2ALDH1A1L3MBTL1
SCHEMBL11022815 0.66 S1PR2 (0.38) KMT2A
SCHEMBL9741185 0.66 KMT2A (0.47) MEN1KMT2AKDM4E
SCHEMBL7185382 0.66 SNCA (0.48) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL9749087 0.66 MEN1 (0.35) MEN1KMT2AAGPAT2CYP3A4
SCHEMBL9234031 0.65 KMT2A (0.46) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL9741145 0.65 CYP1A2 (0.53) KMT2AALDH1A1KDM4E
SCHEMBL3794354 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5126454-A PROCESS FOR THE PREPARATION OF SULPHONYLISOUREAS BAYER AKTIENGESELLSCHAFT (DE) 1992-06-30 US disclosed