SCHEMBL14367258

SCHEMBL14367258

CN1CCN(Cc2cnc(N(C)C)s2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.45
PDE2A O00408 1/20 0.43
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.40
RECQL P46063 1/20 0.40
OGA O60502 1/20 0.39
MC4R P32245 1/20 0.38
SLC8A1 P32418 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL3085138 0.79 ALDH1A1 (0.67) KMT2AMEN1KDM4ETDP1ALDH1A1
SCHEMBL10891097 0.79 RECQL (0.50) KMT2AMEN1KDM4ETDP1ALDH1A1
SCHEMBL32667239 0.79 KDM4E (0.58) KMT2AKDM4ETDP1ALDH1A1PDE2A
SCHEMBL2112989 0.78 TDP1 (0.49) KMT2AKDM4ETDP1ALDH1A1POLB
SCHEMBL14367255 0.75 KDM4E (0.46) KMT2AKDM4ETDP1ALDH1A1POLB
SCHEMBL22079383 0.75 SMN1; SMN2 (0.49) KDM4ETDP1ALDH1A1LMNAOGA
SCHEMBL20071345 0.74 RET (0.41) KMT2AMEN1ALDH1A1MAPK1PDE2A
SCHEMBL13333198 0.70 FDPS (0.38) KMT2AMEN1TDP1ALDH1A1MAPK1
SCHEMBL24862745 0.70 OGA (0.57) KMT2AMEN1KDM4ETDP1ALDH1A1
SCHEMBL22079378 0.70 SMN1; SMN2 (0.53) OGASMN1; SMN2

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