SCHEMBL8921187

SCHEMBL8921187

COC(=O)c1ccc(Cl)cc1NC(=O)CSCCCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 5/20 0.49
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
PLA2G2A P14555 1/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL8922901 0.97 MAPT (0.57) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8920117 0.94 MAPT (0.60) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8920196 0.86 MAPT (0.74) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL8921602 0.84 MEN1 (0.61) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8924828 0.80 SMN1; SMN2 (0.43) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL7464454 0.79 L3MBTL1 (0.73) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8920264 0.79 MEN1 (0.66) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8920119 0.78 SMN1; SMN2 (0.51) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8920108 0.77 RAB9A (0.46) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL7466702 0.75 PRMT5 (0.57) MEN1KMT2AMAPTLMNASMN1; SMN2

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