SCHEMBL14847438

SCHEMBL14847438

CCS(=O)(=O)N1CCN(Cc2cccc(C)c2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
TDP1 Q9NUW8 2/20 0.55
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 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
SCHEMBL8264510 0.80 ALDH1A1 (0.56) KDM4ETDP1ALDH1A1KMT2AMAPK1
SCHEMBL19367987 0.79 ALDH1A1 (0.59) KDM4ETDP1ALDH1A1KMT2AMEN1
SCHEMBL17724132 0.76 CYP2A13 (0.71) KDM4EALDH1A1KMT2AMEN1HSD17B10
SCHEMBL13779315 0.75 KMT2A (0.69) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL16174053 0.74 ALDH1A1 (0.57) KDM4ETDP1ALDH1A1KMT2AMEN1
SCHEMBL4252553 0.73 NPC1 (0.48) KDM4ETDP1ALDH1A1KMT2AMEN1
SCHEMBL14417408 0.73 NPC1 (0.50) KDM4ETDP1ALDH1A1KMT2AMEN1
SCHEMBL402703 0.72 SMN1; SMN2 (0.49) KDM4EALDH1A1KMT2AMEN1HTT
SCHEMBL17152792 0.71 ALDH1A1 (0.44) KDM4ETDP1ALDH1A1KMT2AMEN1
SCHEMBL13779322 0.71 KDM4E (0.58) KDM4EALDH1A1

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
EP-1959960-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2013-04-10 EP disclosed