SCHEMBL14367255

SCHEMBL14367255

CC(C)c1ncc(CN2CCN(C)CC2)s1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.43
LMNA P02545 6/20 0.40
RECQL P46063 2/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
MC4R P32245 1/20 0.38
SLC8A1 P32418 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
GAA P10253 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
OGA O60502 1/20 0.36

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
SCHEMBL4547894 0.87 ALDH1A1 (0.45) ALDH1A1LMNARECQLKMT2AMAPT
SCHEMBL12028950 0.87 SMN1; SMN2 (0.48) KDM4ETDP1ALDH1A1LMNARECQL
SCHEMBL4547895 0.86 SMN1; SMN2 (0.50) KDM4ETDP1ALDH1A1LMNARECQL
SCHEMBL12028951 0.84 SMN1; SMN2 (0.51) ALDH1A1LMNARECQLKMT2AMAPT
SCHEMBL3085138 0.79 ALDH1A1 (0.67) KDM4ETDP1ALDH1A1LMNARECQL
SCHEMBL32667239 0.79 KDM4E (0.58) KDM4ETDP1ALDH1A1LMNARECQL
SCHEMBL10891097 0.79 RECQL (0.50) KDM4ETDP1ALDH1A1LMNARECQL
SCHEMBL2112989 0.78 TDP1 (0.49) KDM4ETDP1ALDH1A1LMNARECQL
SCHEMBL22079383 0.75 SMN1; SMN2 (0.49) KDM4ETDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL14367258 0.75 KMT2A (0.47) KDM4ETDP1ALDH1A1LMNARECQL

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
US-7297793-B2 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE, LLC (US) 2007-11-20 US disclosed
US-7297793-B2 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE, LLC (US) 2007-11-20 US disclosed