SCHEMBL11737286

SCHEMBL11737286

CCCCCCNc1nc(C#N)c(C#N)nc1Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CTSL P07711 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 3/20 0.39
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
TLR8 Q9NR97 3/20 0.38
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.36
S1PR2 O95136 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC29A1 Q99808 1/20 0.35
MAPK1 P28482 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
ABL1 P00519 1/20 0.34

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
SCHEMBL11742300 0.98 KDM4E (0.49) KDM4ENPSR1L3MBTL1CTSLKMT2A
SCHEMBL11092336 0.81 PGK1 (0.45) KDM4ENPSR1L3MBTL1ALDH1A1HPGD
SCHEMBL10507434 0.81 CTSL (0.43) KDM4ENPSR1CTSLKMT2APOLB
SCHEMBL11094304 0.78 KDM4E (0.41) KDM4ECTSLKMT2APOLBALOX15
SCHEMBL11736089 0.76 ALDH1A1 (0.43) KDM4ENPSR1L3MBTL1KMT2APOLB
SCHEMBL11093416 0.74 ALDH1A1 (0.40) KDM4ECTSLKMT2APOLBALOX15
SCHEMBL11735611 0.72 CTSS (0.40) KDM4ECTSLGAA
SCHEMBL11736661 0.72 KDM4E (0.43) KDM4EL3MBTL1CTSLALOX15ALDH1A1
SCHEMBL11498584 0.72 ALDH1A1 (0.40) KDM4EL3MBTL1CTSLKMT2APOLB
SCHEMBL11735541 0.71 SLC29A1 (0.35) KDM4EGAASLC29A1

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
US-4054655-A FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-10-18 US claimed
US-4054655-A FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-10-18 US disclosed