SCHEMBL4727679

SCHEMBL4727679

CCN1CCOC(c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.45
DRD3 P35462 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
UBE2N P61088 1/20 0.40
CNR2 P34972 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
SCHEMBL4725656 0.92 KMT2A (0.45) ALDH1A1HPGDLMNASMN1; SMN2PKM
SCHEMBL4729520 0.90 MOGAT2 (0.44) LMNASMN1; SMN2PKMDRD3UBE2N
SCHEMBL4728553 0.88 ALPL (0.44) ALDH1A1HPGDLMNASMN1; SMN2PKM
SCHEMBL4727053 0.88 LMNA (0.52) ALDH1A1GAATSHRHPGDLMNA
SCHEMBL4727604 0.88 MEN1 (0.47) ALDH1A1TSHRHPGDLMNAPKM
SCHEMBL4726323 0.88 MAPT (0.42) ALDH1A1TSHRHPGDLMNASMN1; SMN2
SCHEMBL4725451 0.85 MAPT (0.53) ALDH1A1GAATSHRLMNASMN1; SMN2
SCHEMBL4725768 0.85 MAPT (0.51) ALDH1A1GAATSHRLMNASMN1; SMN2
SCHEMBL4726285 0.84 PKM (0.48) LMNASMN1; SMN2PKMDRD3TP53
SCHEMBL4725665 0.84 GHSR (0.44) LMNAPKMDRD3MAPTKMT2A

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
WO-2008026046-A1 MORPHOLINE D3 DOPAMINE ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-03-06 WO claimed
WO-2008026046-A1 MORPHOLINE D3 DOPAMINE ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-03-06 WO disclosed