SCHEMBL19928708

SCHEMBL19928708

CCC(C)CN1CCCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
KDM4E B2RXH2 4/20 0.41
CHKA P35790 5/20 0.41
CA2 P00918 1/20 0.39
NCF1 P14598 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.36
HTR7 P34969 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL178285 0.92 KDM4E (0.42) SIGMAR1KDM4EGLATSHRL3MBTL1
SCHEMBL24713588 0.92 KDM4E (0.42) SIGMAR1KDM4EGLATSHRL3MBTL1
SCHEMBL22550677 0.92 KDM4E (0.42) SIGMAR1KDM4EGLATSHRL3MBTL1
SCHEMBL27346812 0.85 SIGMAR1 (0.41) SIGMAR1KDM4ECHKACA2NCF1
SCHEMBL15223351 0.83 KMT2A (0.44) SIGMAR1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL11929538 0.83 KMT2A (0.44) SIGMAR1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL11570592 0.82
SCHEMBL20355886 0.82 SIGMAR1 (0.39) SIGMAR1KDM4ECHKACA2NCF1
SCHEMBL10147160 0.81 PIK3CD (0.45) SIGMAR1KDM4ECHKACA2NCF1
SCHEMBL22605258 0.81 MEN1 (0.48) SIGMAR1KDM4ETSHRL3MBTL1MAPT

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