SCHEMBL11277010

SCHEMBL11277010

Nc1ccccc1C(=O)NCCN1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 3/20 0.61
LMNA P02545 1/20 0.61
HTR4 Q13639 1/20 0.55
MEN1 O00255 1/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
IKBKB O14920 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NPSR1 Q6W5P4 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL27985765 0.99 ALDH1A1 (0.62) KDM4EALDH1A1LMNAHTR4MEN1
SCHEMBL7692996 0.92 HTR4 (0.57) KDM4EALDH1A1LMNAHTR4POLB
SCHEMBL11275539 0.92 HTR4 (0.57) KDM4EALDH1A1LMNAHTR4POLB
SCHEMBL11276343 0.90 KDM4E (0.56) KDM4EALDH1A1LMNAHTR4MEN1
SCHEMBL11262432 0.89 KDM4E (0.53) KDM4EALDH1A1LMNAHTR4
SCHEMBL27986088 0.87 ALDH1A1 (0.60) KDM4EALDH1A1LMNAPOLBHPGD
SCHEMBL2964718 0.84 IKBKB (0.57) KDM4EALDH1A1LMNAMEN1POLB
SCHEMBL21347710 0.83 POLB (0.55) KDM4EALDH1A1MEN1POLBKMT2A
SCHEMBL7531492 0.83 CYP1A2 (0.62) KDM4EALDH1A1MEN1POLBKMT2A
SCHEMBL13164063 0.83 NPSR1 (0.58) KDM4EMEN1POLBKMT2ACYP1A2

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
CN-104230831-A Triazine compounds as PI3 kinase and mTOR inhibitors WYETH LLC 2014-12-24 CN disclosed
EP-0049779-A1 3-Aminoindazole derivatives and process for preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-04-21 EP disclosed