SCHEMBL22037271

SCHEMBL22037271

Cc1cccc(N(N)C(=O)N(C)N)c1COc1cncc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.36
SIRT3 Q9NTG7 2/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
SIRT1 Q96EB6 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
SCHEMBL22038682 0.87 SIRT2 (0.37) SIRT2SIRT3ALDH1A1SMN1; SMN2LMNA
SCHEMBL22037628 0.86 SLC22A12 (0.38) SIRT2SIRT3SIRT1
SCHEMBL20195399 0.84 FFAR1 (0.37) ALDH1A1LMNACYP1A2
SCHEMBL22037225 0.83 MKNK1 (0.42) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL22037220 0.83 SCN10A (0.39)
SCHEMBL22037640 0.82 GRM5 (0.37)
SCHEMBL22037199 0.80 GABRA5 (0.33) ALDH1A1LMNA
SCHEMBL22038204 0.79 PARP15 (0.39) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL21317993 0.78 PARP15 (0.41) ALDH1A1SMN1; SMN2HTT
SCHEMBL22037708 0.78 HTR7 (0.42) LMNACYP1A2CYP3A4CYP2C9CYP2C19

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
EP-2990404-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-05-27 EP disclosed