SCHEMBL6691027

SCHEMBL6691027

Cc1ccnc(C)c1NC(=O)NCCCl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 3/20 0.37
GAA P10253 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
LCK P06239 1/20 0.36
GFER P55789 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
SCHEMBL11054954 0.75 LMNA (0.54) POLBALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL3778113 0.75 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C19MAPTKDM4E
SCHEMBL6697640 0.74 ALDH1A1 (0.49) POLBALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL12083785 0.74 PIK3CA (0.39) ALDH1A1CYP1A2CYP2C19EGFRERBB2
SCHEMBL16919139 0.73 ALDH1A1 (0.49) POLBALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL6689839 0.72 ATM (0.57) POLBALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL6688131 0.72 SMN1; SMN2 (0.56) SMN1; SMN2LMNA
SCHEMBL26789531 0.72 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2C19MAPTSMN1; SMN2
SCHEMBL18183958 0.71 ANPEP (0.43) POLBMAPTSMN1; SMN2HTTLMNA
SCHEMBL30797163 0.70 NPSR1 (0.56) MAPTKDM4EEGFRERBB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004106292-A1 HALOETHYL UREA COMPOUNDS AND THEIR USE TO ATTENUATE, INHIBIT OR PREVENT NON-CANCEROUS PATHOGENIC CELLULAR PROLIFERATION AND DISEASES ASSOCIATED THEREWITH IMOTEP INC. (CA) 2004-12-09 WO disclosed
WO-2004106291-A1 HALOETHYL UREA COMPOUNDS AND THE USE THEREOF TO ATTENUATE, INHIBIT OR PREVENT CANCER CELL MIGRATION IMOTEP INC. (CA) 2004-12-09 WO disclosed
US-5530026-A WITHOUT SYSTEMIC TOXICITY AND MUTAGENICITY UNIVERSITE LAVAL (CA) 1996-06-25 US disclosed