SCHEMBL10620693

SCHEMBL10620693

Cc1ccc(CC2CCC(N)CC2)cc1N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CASP1 P29466 1/20 0.38
CYP3A4 P08684 2/20 0.36
PARP1 P09874 1/20 0.36
MAPT P10636 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
TSHR P16473 1/20 0.32
SKP2 Q13309 1/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL10805069 0.87 SKP2 (0.45) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL8977699 0.81 CXCR4 (0.34) SPHK1SLC6A4SLC6A2SLC6A3
SCHEMBL24603067 0.81 KDM4E (0.45) KDM4ESLC6A4SLC6A2
SCHEMBL28136200 0.79 SKP2 (0.50) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL15826731 0.78 CXCR4 (0.31) SPHK1
SCHEMBL40067 0.78 IDO1 (0.32) SPHK1SLC6A4SLC6A2SLC6A3
SCHEMBL29398175 0.78 IDO1 (0.32) SPHK1SLC6A4SLC6A2SLC6A3
SCHEMBL10943037 0.78 ALDH1A1 (0.36) ALDH1A1MAPTSPHK1SLC6A4SLC6A2
SCHEMBL10942833 0.77 ALDH1A1 (0.37) KDM4ETDP1ALDH1A1CYP3A4TSHR
SCHEMBL28028910 0.76 TDP1 (0.37) KDM4ETDP1ALDH1A1CYP3A4MAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4786751-A POLYURETHANES BAYER AKTIENGESELLSCHAFT (DE) 1988-11-22 US disclosed
EP-0154768-B1 PROCESS FOR THE PREPARATION OF POLYURETHANES, POLYURETHANES HAVING AROMATIC AMINO TERMINAL GROUPS AND THEIR USE BAYER AG (DE) 1988-05-25 EP disclosed
US-4720582-A Diamines and a process for their production BAYER AKTIENGESELLSCHAFT (DE) 1988-01-19 US disclosed
EP-0150005-B1 MAGNETIC STORAGE MEDIUM Agfa-Gevaert AG (DE) 1987-09-23 EP disclosed
US-4677030-A POLYUREA-URETHANE BINDER AGFA GEVAERT AKTIENGESELLSCHAFT (DE) 1987-06-30 US disclosed
EP-0113044-B1 DIISOCYANATES OR MIXTURES OF DIISOCYANATES, PROCESS FOR THEIR PRODUCTION, AS WELL AS THEIR USE IN THE PRODUCTION OF POLYURETHANES BAYER AG (DE) 1986-09-03 EP disclosed
US-4574147-A Process for the production of polyurethanes, polyurethanes containing terminal aromatic amino groups and their use BAYER AKTIENGESELLSCHAFT (DE) 1986-03-04 US disclosed
EP-0104396-B1 PROCESS FOR PREPARATION OF DIAMINES OR MIXTURES OF DIAMINES BAYER AG (DE) 1985-11-13 EP disclosed
EP-0154768-A1 Process for the preparation of polyurethanes, polyurethanes having aromatic amino terminal groups and their use BAYER AG (DE) 1985-09-18 EP disclosed
EP-0150005-A1 Magnetic storage medium Agfa-Gevaert AG (DE) 1985-07-31 EP disclosed
EP-0113044-A2 Diisocyanates or mixtures of diisocyanates, process for their production, as well as their use in the production of polyurethanes BAYER AG (DE) 1984-07-11 EP disclosed
EP-0104396-A1 Process for preparation of diamines or mixtures of diamines BAYER AG (DE) 1984-04-04 EP disclosed