SCHEMBL5780433

SCHEMBL5780433

O=[N+]([O-])c1ccc(N2CCN(CCCl)CC2)cc1.O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
HTR1A P08908 2/20 0.57
SIRT6 Q8N6T7 1/20 0.56
POLB P06746 3/20 0.55
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
IGF1R P08069 1/20 0.50

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
SCHEMBL4820552 0.93 SIRT6 (0.64) KMT2AHTR1ASIRT6POLBMAPT
SCHEMBL2717022 0.93 SIRT6 (0.64) KMT2AHTR1ASIRT6POLBMAPT
SCHEMBL6151796 0.93 SIRT6 (0.64) KMT2AHTR1ASIRT6POLBMAPT
SCHEMBL5206660 0.88 LMNA (0.63) KMT2AHTR1ASIRT6POLBMAPT
SCHEMBL4817023 0.85 SIRT6 (0.71) KMT2AHTR1ASIRT6POLBMAPT
SCHEMBL5784690 0.85 SIRT6 (0.71) KMT2AHTR1ASIRT6POLBMAPT
SCHEMBL5743368 0.85 HTR1A (0.61) KMT2AHTR1ASIRT6POLBMAPT
SCHEMBL9436570 0.82 HTR1A (0.58) KMT2AHTR1ASIRT6POLBMAPT
SCHEMBL27178667 0.81 KMT2A (0.60) KMT2AHTR1ASIRT6POLBMAPT
SCHEMBL9383629 0.80 HTR1A (0.56) KMT2AHTR1ASIRT6POLBMAPT

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-1682531-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-07-26 EP disclosed
WO-2005042518-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-05-12 WO disclosed