SCHEMBL8921606

SCHEMBL8921606

CCCC/C=C/c1cc(Cl)cc(NC(=O)CSCCCc2ccccc2)c1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.37
GAA P10253 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL8924828 0.83 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AALDH1A1LMNAMAPT
SCHEMBL8921612 0.83 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1LMNAKMT2ACYP1A2
SCHEMBL8925030 0.79 CYP1A2 (0.37) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL8925035 0.79 CYP1A2 (0.37) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL8922901 0.76 MAPT (0.57) SMN1; SMN2ALDH1A1LMNAMAPTMEN1
SCHEMBL8922387 0.74 MAPT (0.50) RAB9AALDH1A1LMNAMAPTMEN1
SCHEMBL8921264 0.74 CYP4F2 (0.47) RAB9AALDH1A1LMNAMAPTMEN1
SCHEMBL8923079 0.74 ALDH1A1 (0.43) SMN1; SMN2RAB9AALDH1A1LMNAMAPT
SCHEMBL8920748 0.74 KMT2A (0.44) RAB9AALDH1A1LMNAMAPTMEN1
SCHEMBL8921187 0.73 MEN1 (0.56) SMN1; SMN2ALDH1A1LMNAMAPTMEN1

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
US-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US disclosed