SCHEMBL9083545

SCHEMBL9083545

CN1C(CCC(C)(C)Cl)C(=O)N(CSc2ccccc2)S1(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.39
NPC1 O15118 6/20 0.34
RAB9A P51151 6/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
ALDH1A1 P00352 4/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.31
FDPS P14324 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL7330348 0.84 ELANE (0.50) ELANENPC1RAB9ASMN1; SMN2MTNR1A
SCHEMBL7329575 0.81 ELANE (0.38) ELANENPC1RAB9ASMN1; SMN2MTNR1A
SCHEMBL7423743 0.80 GFER (0.38) ELANENPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL7421692 0.76 ELANE (0.36) ELANE
SCHEMBL7332491 0.74 MTNR1A (0.35) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL7331991 0.72 ELANE (0.38) ELANENPC1RAB9ASMN1; SMN2MTNR1A
SCHEMBL7335115 0.66 ELANE (0.53) ELANESMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL7329786 0.65 ELANE (0.54) ELANENPC1RAB9AALDH1A1POLB
SCHEMBL7328422 0.63 NPC1 (0.36) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL7330116 0.63 KMT2A (0.35) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2

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-5556909-A PROTEOLYTIC ENZYME INHIBITOR, TREATMENT OF DEGENERATIVE DISEASES, SUCH AS EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI WINTHROP INC. (US) 1996-09-17 US disclosed