SCHEMBL5223586

SCHEMBL5223586

CC1CCCNC1Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34

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
Fluoride SCHEMBL10600498 0.98 POLB (0.37) POLBKDM4ENPC1CYP1A2CYP2D6
SCHEMBL11099897 0.75 MEN1 (0.31) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL5309238 0.74 DDB1 (0.42) POLBKDM4ENPC1CYP1A2CYP2D6
SCHEMBL27427689 0.72 DDB1 (0.35) DDB1CRBNALDH1A1NFKB1NFKB2
SCHEMBL9116182 0.71 DDB1 (0.37) POLBDDB1CRBNALDH1A1NFKB1
SCHEMBL27917014 0.71 DDB1 (0.34) KDM4EMAPK1DDB1CRBNALDH1A1
SCHEMBL5695189 0.71 DDB1 (0.34) KDM4EMAPK1DDB1CRBNALDH1A1
SCHEMBL7634555 0.71 ALDH1A1 (0.51) POLBALDH1A1LMNAGFER
SCHEMBL28725156 0.70 DDB1 (0.33) DDB1CRBNALDH1A1MEN1LMNA
SCHEMBL25360423 0.69 TACR1 (0.46) CYP1A2CYP2D6CYP2C19MEN1MAPT

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-1812425-A2 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-01 EP disclosed
WO-2006047479-A2 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-04 WO disclosed