SCHEMBL169608

SCHEMBL169608

CC(CCc1ccncc1C(=O)O)N1CCN(CCO)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
MC4R P32245 1/20 0.38
HTT P42858 1/20 0.38
CCR6 P51684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CYP3A4 P08684 1/20 0.36
POLB P06746 2/20 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
SCHEMBL6050524 0.75 KDM4C (0.54) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL4640764 0.74 HRH3 (0.49) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL31186652 0.74 KDM4C (0.46) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL30716140 0.73 KDM4C (0.44) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL26841338 0.73 KDM4C (0.44) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL9858541 0.72 KDM4C (0.47) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL106859 0.71 KDM4E (0.41) KDM4EALDH1A1LMNATP53ALOX15
SCHEMBL258369 0.68 KDM4C (0.51) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL14825830 0.67 ATM (0.53) MEN1KMT2ALMNAHTTCHRM2
Hydrochloric Acid SCHEMBL5739434 0.66 KDM4C (0.50) KDM4EMEN1KMT2AALDH1A1MAPT

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-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed