SCHEMBL11620013

SCHEMBL11620013

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ DRD4 P21917 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ NR4A2 P43354 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 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
SCHEMBL11622691 0.91 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL11622537 0.86 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2ADRD4OPRM1
SCHEMBL11620869 0.84 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL11622854 0.82 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL11625646 0.80 KMT2A (0.37) SMN1; SMN2MEN1KMT2ADRD4OPRM1
SCHEMBL11623223 0.79 KMT2A (0.41) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL11622045 0.79 LMNA (0.44) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL11623756 0.77 FAAH (0.38) FAAH
SCHEMBL11621699 0.76 KMT2A (0.39) SMN1; SMN2MEN1KMT2AHPGDNPSR1
SCHEMBL11616963 0.76 MEN1 (0.37) SMN1; SMN2MEN1KMT2AALDH1A1HPGD

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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