SCHEMBL19986740

SCHEMBL19986740

O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)NC(C(c2ccccc2)c2ccccc2)N3)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.57
CYP3A4 P08684 3/20 0.57
ABCB11 O95342 1/20 0.57
CYP1A2 P05177 1/20 0.57
ADRA2A P08913 1/20 0.57
CYP2D6 P10635 1/20 0.57
CHRM1 P11229 1/20 0.57
TBXA2R P21731 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
CYP2C19 P33261 1/20 0.57
ADRA1A P35348 1/20 0.57
OPRM1 P35372 1/20 0.57
DRD3 P35462 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KCNH2 Q12809 1/20 0.57
HIF1A Q16665 1/20 0.57
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
KDM4E B2RXH2 2/20 0.54

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
SCHEMBL5061043 0.80 KMT2A (0.79) LMNACYP3A4ABCB11CYP1A2ADRA2A
SCHEMBL5066354 0.79 LMNA (0.76) LMNACYP3A4ABCB11CYP1A2ADRA2A
SCHEMBL5063971 0.78 LMNA (0.66) LMNACYP3A4ABCB11CYP1A2ADRA2A
SCHEMBL5060376 0.78 KMT2A (0.72) LMNACYP3A4ABCB11CYP1A2ADRA2A
SCHEMBL5064536 0.78 MEN1 (0.68) LMNACYP3A4ABCB11CYP1A2ADRA2A
SCHEMBL5059186 0.77 KMT2A (0.70) LMNACYP3A4ABCB11CYP1A2ADRA2A
SCHEMBL5060691 0.76 ALDH1A1 (0.62) LMNACYP3A4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5066094 0.76 ALDH1A1 (0.59) LMNACYP3A4ABCB11CYP1A2ADRA2A
SCHEMBL19970878 0.76 LMNA (0.54) LMNACYP3A4ABCB11CYP1A2ADRA2A
SCHEMBL19970877 0.76 LMNA (0.54) LMNACYP3A4ABCB11CYP1A2ADRA2A

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-3296297-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-21 EP disclosed