SCHEMBL11622691

SCHEMBL11622691

CCC(C)(C(=O)N(C)C)n1cc(C)c(-c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ GRIN2B Q13224 2/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ RIPK1 Q13546 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ NR4A2 P43354 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL11620013 0.91 SMN1; SMN2 (0.37) SMN1; SMN2GRIN2BMEN1KMT2AALDH1A1
SCHEMBL11622854 0.86 SMN1; SMN2 (0.38) SMN1; SMN2GRIN2BMEN1KMT2AALDH1A1
SCHEMBL11620869 0.85 SMN1; SMN2 (0.41) SMN1; SMN2GRIN2BMEN1KMT2AALDH1A1
SCHEMBL11622537 0.82 SMN1; SMN2 (0.36) SMN1; SMN2GRIN2BMEN1KMT2AALDH1A1
SCHEMBL11625646 0.81 KMT2A (0.37) SMN1; SMN2GRIN2BMEN1KMT2AALDH1A1
SCHEMBL11623223 0.80 KMT2A (0.41) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL11622045 0.80 LMNA (0.44) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL11621699 0.77 KMT2A (0.39) SMN1; SMN2MEN1KMT2AHPGDNPSR1
SCHEMBL11616963 0.76 MEN1 (0.37) SMN1; SMN2GRIN2BMEN1KMT2AALDH1A1
SCHEMBL11622946 0.76 SMN1; SMN2 (0.38) SMN1; SMN2GRIN2BMEN1KMT2AALDH1A1

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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