SCHEMBL15416239

SCHEMBL15416239

CCC1(C(=O)O)CCN(c2ncccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP3A4 P08684 7/20 0.50
KDM4E B2RXH2 6/20 0.47
CYP2C19 P33261 2/20 0.47
MDM2 Q00987 1/20 0.47
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
CYP2C9 P11712 2/20 0.46
MAPK1 P28482 2/20 0.46
CYP2D6 P10635 4/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.44
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
USP2 O75604 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR1A P08908 1/20 0.43

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
SCHEMBL1283028 0.84 POLB (0.40) MEN1KMT2ACYP3A4TSHR
SCHEMBL2702106 0.81 ALDH1A1 (0.49) MEN1KMT2ACYP3A4KDM4ECYP2C19
SCHEMBL15416474 0.79 MEN1 (0.58) MEN1KMT2ACYP3A4KDM4ECYP2C19
SCHEMBL15416130 0.77 MEN1 (0.55) MEN1KMT2ACYP3A4KDM4ECYP2C19
SCHEMBL1292674 0.76 RIPK1 (0.38) MEN1KMT2A
SCHEMBL21868482 0.76 MEN1 (0.54) MEN1KMT2ACYP3A4KDM4ECYP2C19
SCHEMBL6982738 0.75 SORD (0.41)
SCHEMBL1292392 0.73 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPK1TDP1
SCHEMBL28247431 0.72 CYP3A4 (0.50) MEN1KMT2ACYP3A4KDM4ECYP2C19
SCHEMBL29516687 0.72 SSTR5 (0.36) CYP3A4CYP2C19ALDH1A1SMN1; SMN2CYP2C9

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
EP-2872508-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2015-05-20 EP disclosed
WO-2014009295-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 WO disclosed