SCHEMBL11620869

SCHEMBL11620869

Cc1cn(C(C)(C)C(=O)N(C)C)nc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ GRIN2B Q13224 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL11621488 0.89 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AMEN1GRIN2BHPGD
SCHEMBL11625646 0.89 KMT2A (0.37) SMN1; SMN2KMT2AMEN1GRIN2BLMNA
SCHEMBL11623223 0.88 KMT2A (0.41) SMN1; SMN2KMT2AMEN1LMNAGAA
SCHEMBL11621699 0.88 KMT2A (0.39) SMN1; SMN2KMT2AMEN1LMNAGAA
SCHEMBL11622924 0.86 CNR1 (0.39) KMT2ALMNAKDM4EALDH1A1NPSR1
SCHEMBL9876893 0.86 PTGIR (0.43) SMN1; SMN2KMT2AMEN1LMNAHPGD
SCHEMBL11622691 0.85 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AMEN1GRIN2BLMNA
SCHEMBL11622045 0.85 LMNA (0.44) SMN1; SMN2KMT2AMEN1LMNAHPGD
SCHEMBL11620762 0.84 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AMEN1GRIN2BLMNA
SCHEMBL11624052 0.84 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AMEN1LMNAGAA

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-4072498-A HERBICIDES THE UPJOHN COMPANY (US) 1978-02-07 — — US claimed
US-4072498-A HERBICIDES THE UPJOHN COMPANY (US) 1978-02-07 — — US disclosed
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