SCHEMBL19928702

SCHEMBL19928702

CCC(C)CN1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.35
KDM4E B2RXH2 1/20 0.35
RAD52 P43351 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
L3MBTL3 Q96JM7 2/20 0.34
ACHE P22303 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PIM1 P11309 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL18177694 0.84 L3MBTL1 (0.37) KMT2AMEN1LMNAHTTL3MBTL1
SCHEMBL24713588 0.81 KDM4E (0.42) L3MBTL1KDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL22550677 0.81 KDM4E (0.42) L3MBTL1KDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL178285 0.81 KDM4E (0.42) L3MBTL1KDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL1160925 0.77 KMT2A (0.51) KMT2AL3MBTL1KDM4ERAD52HRH3
SCHEMBL24745758 0.76 SMN1; SMN2 (0.49) KMT2AL3MBTL1KDM4ERAD52HRH3
SCHEMBL19928708 0.74 SIGMAR1 (0.46) L3MBTL1KDM4EALDH1A1TSHR
SCHEMBL25821066 0.74 ALDH1A1 (0.35) KMT2AMEN1LMNAHTTL3MBTL1
SCHEMBL23269619 0.74 KMT2A (0.51) KMT2AL3MBTL1KDM4ERAD52L3MBTL3
SCHEMBL8326704 0.74 SIGMAR1 (0.47) KMT2AMEN1LMNAHRH3ACHE

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-9908872-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 US disclosed