SCHEMBL22352185

SCHEMBL22352185

CCC(C)N1CCN(Cc2cc(CN3CCN(C(C)CC)CC3)cc(CN3CCN(C(C)CC)CC3)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
TSHR P16473 2/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL22811853 0.87 KDM4E (0.43) KDM4EKMT2AMEN1TSHRALDH1A1
SCHEMBL13638129 0.84 KMT2A (0.71) KDM4EKMT2AMEN1TSHRALDH1A1
SCHEMBL12859088 0.82 ALDH1A1 (0.64) KDM4EKMT2AMEN1ALDH1A1TDP1
SCHEMBL23008455 0.82 KDM4E (0.54) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL22030560 0.80 KMT2A (0.40) KDM4EKMT2AMEN1TSHRALDH1A1
SCHEMBL15348806 0.76 KDM4E (0.42) KDM4EKMT2AMEN1TSHRALDH1A1
SCHEMBL11575106 0.76
SCHEMBL18177855 0.75 KCNJ1 (0.61) KDM4EALDH1A1MAPTTDP1MAPK1
SCHEMBL12850091 0.74 KDM4E (0.37) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL28851969 0.74 KDM4E (0.59) KDM4EKMT2AMEN1TSHRALDH1A1

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
WO-2020165600-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF BICYCLETX LIMITED (GB) 2020-08-20 WO disclosed