SCHEMBL4958808

SCHEMBL4958808

COc1ccc(CC2CCN(C(=O)OCC(c3ccccc3Cl)n3ncnn3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GRIN2B Q13224 2/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CCR3 P51677 1/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
FAAH O00519 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
DRD4 P21917 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4958259 0.92 FAAH (0.41) MEN1KMT2AGRIN2BCYP2C9CYP2C19
SCHEMBL4957412 0.92 FAAH (0.47) SMN1; SMN2MEN1KMT2AGRIN2BCYP2C9
SCHEMBL4959460 0.90 MEN1 (0.41) MEN1KMT2AGRIN2BCYP2C9CYP2C19
SCHEMBL4958536 0.89 FAAH (0.41) MEN1KMT2AGRIN2BCYP2C9CYP2C19
SCHEMBL4958347 0.88 CCR3 (0.42) MEN1KMT2AGRIN2BCYP2C9CYP2C19
SCHEMBL4959344 0.88 MGLL (0.46) SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL4959675 0.87 FAAH (0.39) MEN1KMT2ACYP2C9CYP2C19CCR3
SCHEMBL4963114 0.84 TACR1 (0.41) MEN1KMT2AGRIN2BCYP2C9CYP2C19
SCHEMBL4958443 0.83 POLB (0.39) SMN1; SMN2GRIN2BCYP2C9CYP2C19CYP3A4
SCHEMBL4959588 0.81 PSEN1 (0.38) CCR3FAAH

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
EP-1879873-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK Holdings Co., Ltd. (KR) 2008-01-23 EP disclosed
WO-2006112685-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK HOLDINGS CO., LTD. (KR) 2006-10-26 WO disclosed