SCHEMBL29458485

SCHEMBL29458485

O=C(Nc1ccc(F)c(Cl)c1)C1CCNC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 7/20 0.58
KMT2A Q03164 4/20 0.57
NR1I2 O75469 1/20 0.57
AHR P35869 1/20 0.57
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 3/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
SLC2A1 P11166 1/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51

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
SCHEMBL22644321 1.00 MALT1 (0.58) MALT1KMT2ANR1I2AHRALDH1A1
Hydrochloric Acid SCHEMBL22633065 0.99 MALT1 (0.57) MALT1KMT2ANR1I2AHRALDH1A1
Hydrochloric Acid SCHEMBL30664787 0.99 MALT1 (0.57) MALT1KMT2ANR1I2AHRALDH1A1
SCHEMBL21670326 0.89 MGLL (0.52) MALT1KMT2ANR1I2AHRMEN1
Trifluoroacetic Acid SCHEMBL28573625 0.87 MALT1 (0.52) MALT1KMT2ANR1I2AHRALDH1A1
Trifluoroacetic Acid SCHEMBL30507515 0.87 MALT1 (0.52) MALT1KMT2ANR1I2AHRALDH1A1
Hydrochloric Acid SCHEMBL16150007 0.86 ULK1 (0.49) KMT2AMEN1SMN1; SMN2ALOX15
SCHEMBL1534438 0.84 NPC1 (0.53) KMT2A
SCHEMBL16670833 0.84 ROCK2 (0.45) MALT1KMT2ANR1I2AHRALDH1A1
SCHEMBL29621820 0.84 ULK1 (0.47) KMT2AMEN1GAASMN1; SMN2ALOX15

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
EP-3966205-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-03-16 EP disclosed