SCHEMBL9539181

SCHEMBL9539181

CCOCCn1c(CC2CCN(CCNC(=O)c3ccccc3N)CC2)nc2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.43
TP53 P04637 4/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
THRB P10828 1/20 0.41
HRH1 P35367 6/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL9636292 0.89 SLC6A9 (0.55) SLC6A9TP53THRBMEN1KMT2A
SCHEMBL9535297 0.85 SLC6A9 (0.47) SLC6A9TP53SLC6A2SLC6A4HRH1
SCHEMBL9535795 0.85 SLC6A9 (0.45) SLC6A9TP53SLC6A2SLC6A4HRH1
SCHEMBL9539478 0.84 TP53 (0.44) SLC6A9TP53SLC6A2SLC6A4HRH1
SCHEMBL10552594 0.83 LMNA (0.54) SLC6A9TP53THRBLMNAMAPT
SCHEMBL10549493 0.83 MAPT (0.50) SLC6A9TP53SLC6A2SLC6A4MEN1
Oxalic Acid SCHEMBL10383154 0.82 TP53 (0.44) SLC6A9TP53SLC6A2SLC6A4HRH1
Oxalic Acid SCHEMBL9535399 0.82 SLC6A9 (0.47) SLC6A9TP53HRH1MEN1KMT2A
Oxalic Acid SCHEMBL9535391 0.82 SLC6A9 (0.47) SLC6A9TP53HRH1MEN1KMT2A
SCHEMBL9535554 0.81 SLC6A9 (0.52) SLC6A9HRH1MEN1KMT2AKDM4E

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-0282133-B1 1-ALKYL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-28 EP disclosed
US-4943580-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed