SCHEMBL5656405

SCHEMBL5656405

Cc1ccccc1NC(=O)CN1CCN(c2ncc(C(=O)O)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 3/20 0.61
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 2/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
GFER P55789 1/20 0.49
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
MDM2 Q00987 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL4010491 0.78 KMT2A (0.77) KMT2AMEN1ALDH1A1KDM4ETSHR
SCHEMBL791289 0.75 MEN1 (0.71) KMT2AMEN1MAPK1ALDH1A1KDM4E
SCHEMBL5656394 0.74 DRD4 (0.54) ALDH1A1KDM4ETSHRHTTSMN1; SMN2
SCHEMBL5660210 0.72 SMN1; SMN2 (0.55) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4004525 0.72 HSD11B1 (0.60) KMT2AMEN1ALDH1A1SMN1; SMN2DRD2
SCHEMBL29057493 0.72 MEN1 (0.56) KMT2AMEN1MAPK1ALDH1A1TSHR
SCHEMBL29078376 0.71 KMT2A (0.69) KMT2AMEN1MAPK1ALDH1A1KDM4E
SCHEMBL5605575 0.70 MEN1 (0.63) KMT2AMEN1MAPK1ALDH1A1TSHR
SCHEMBL27008685 0.70 OGA (0.76)
SCHEMBL7542659 0.70 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1KDM4ETSHR

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
US-7176310-B1 Pyrimidinecarboxamide derivatives and their use as anti-inflammatory agents UCB SA (GB) 2007-02-13 US disclosed