SCHEMBL8920119

SCHEMBL8920119

COC(=O)c1ccc(Cl)cc1NC(=S)CCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
PLA2G2A P14555 1/20 0.51
KDM4E B2RXH2 4/20 0.50
MAPT P10636 1/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 1/20 0.45
GRIK1 P39086 1/20 0.44
GAA P10253 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
MAOB P27338 1/20 0.43
ADORA1 P30542 1/20 0.43
THRB P10828 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL8920266 0.81 GAA (0.54) SMN1; SMN2KDM4EMAPTALDH1A1LMNA
SCHEMBL8922901 0.79 MAPT (0.57) SMN1; SMN2PLA2G2AKDM4EMAPTALDH1A1
SCHEMBL8921187 0.78 MEN1 (0.56) SMN1; SMN2PLA2G2AKDM4EMAPTALDH1A1
SCHEMBL8924835 0.78 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALDH1A1LMNAALOX15
SCHEMBL8920117 0.77 MAPT (0.60) SMN1; SMN2PLA2G2AKDM4EMAPTALDH1A1
SCHEMBL10362701 0.76 ALDH1A1 (0.72) KDM4EMAPTALDH1A1LMNAMEN1
SCHEMBL8922431 0.75 KDM4E (0.78) SMN1; SMN2KDM4EMAPTALDH1A1LMNA
SCHEMBL8920196 0.74 MAPT (0.74) KDM4EMAPTALDH1A1LMNAMEN1
SCHEMBL8921144 0.72 MAPT (0.48) SMN1; SMN2PLA2G2AKDM4EMAPTALDH1A1
SCHEMBL8921612 0.72 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EALDH1A1LMNAKMT2A

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-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US disclosed
EP-0685466-A1 3-Heteroaliphatyle-and 3-hetero-(aryle)-aliphatyle-2(1H)-quinolone derivatives CIBA-GEIGY AG (CH) 1995-12-06 EP disclosed