SCHEMBL9031893

SCHEMBL9031893

CO/N=C(\C)c1ccccc1NC(C(N)=O)c1c(Cl)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.41
PRTN3 P24158 2/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 4/20 0.38
CXCL8 P10145 1/20 0.38
ADRA1A P35348 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
HPGD P15428 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
F10 P00742 1/20 0.37
LMNA P02545 2/20 0.36
NPC1 O15118 3/20 0.36
POLB P06746 1/20 0.36
CASP3 P42574 1/20 0.36
ATM Q13315 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL9029988 0.87 ALDH1A1 (0.43) ELANEPRTN3ALDH1A1KDM4ECXCL8
SCHEMBL8830164 0.84 KDM4E (0.43) ALDH1A1KDM4ECXCL8ADRA1AHPGD
SCHEMBL27313449 0.84 MEN1 (0.44) ELANEPRTN3ALDH1A1KDM4EADRA1A
SCHEMBL8830236 0.78 ALDH1A1 (0.46) ALDH1A1CXCL8L3MBTL1HPGDRAB9A
SCHEMBL9031270 0.76 SMN1; SMN2 (0.40) ALDH1A1KDM4ECXCL8HPGDRAB9A
SCHEMBL27351007 0.75 MEN1 (0.39) ELANEPRTN3ALDH1A1KDM4EHPGD
SCHEMBL14440013 0.74 CXCL8 (0.43) ALDH1A1KDM4ECXCL8LMNACYP1A2
SCHEMBL5967627 0.73 PTGS2 (0.44) ALDH1A1KDM4ECXCL8ADRA1ALMNA
Loviride SCHEMBL247782 0.72 ALOX15 (0.39) ALDH1A1KDM4EL3MBTL1HPGDRAB9A
Loviride SCHEMBL29457001 0.72 ALOX15 (0.39) ALDH1A1KDM4EL3MBTL1HPGDRAB9A

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
EP-0538301-B1 HIV-INHIBITING BENZENEACETAMIDE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1996-10-30 EP disclosed
US-5556886-A VIRICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1996-09-17 US disclosed