SCHEMBL8341123

SCHEMBL8341123

CCCN(C(=O)Nc1cccc2c(NC(=O)N(CCC)C(C)C)cccc12)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.43
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IDO1 P14902 2/20 0.39
HPGD P15428 1/20 0.39
SHMT2 P34897 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL8342672 0.88 ALDH1A1 (0.43) EPHX1ALDH1A1POLBGAALMNA
SCHEMBL8339629 0.81 NPSR1 (0.50) EPHX1ALDH1A1POLBGAAKMT2A
SCHEMBL8340991 0.80 HDAC3 (0.48) EPHX1ALDH1A1POLBGAAKMT2A
SCHEMBL10595774 0.78 NAMPT (0.53) NAMPTALDH1A1POLBLMNAKDM4E
SCHEMBL8339328 0.78 SHMT2 (0.55) EPHX1ALDH1A1POLBGAAKMT2A
SCHEMBL8338481 0.77 CA12 (0.49) ALDH1A1POLBGAALMNAKDM4E
SCHEMBL8335814 0.76 NPSR1 (0.46) EPHX1ALDH1A1POLBGAAL3MBTL1
SCHEMBL8338964 0.76 ALDH1A1 (0.42) ALDH1A1POLBGAALMNAKDM4E
SCHEMBL8342447 0.74 ABCC1 (0.53) EPHX1ALDH1A1POLBGAALMNA
SCHEMBL13984133 0.73 EPHX1 (0.58) EPHX1ALDH1A1GAAKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719320-A 1,5-BIS(3,3-DIALKYLUREIDO)NAPHTHALENE HODOGAYA CHEMICAL CO., LTD. (JP) 1998-02-17 US claimed
US-5892111-A ALKYL-SUBSTITUTED M-BIS/DIMETHYLUREIDO/BENZENES HODOGAYA CHEMICAL CO., LTD. (JP) 1999-04-06 US disclosed
US-5719320-A 1,5-BIS(3,3-DIALKYLUREIDO)NAPHTHALENE HODOGAYA CHEMICAL CO., LTD. (JP) 1998-02-17 US disclosed