SCHEMBL6693475

SCHEMBL6693475

O=C(O)Cc1cccc(NC(=O)NCCCl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.59
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
MAPT P10636 4/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
TP53 P04637 1/20 0.53
SELP P16109 2/20 0.52
SELE P16581 2/20 0.52
NR1H4 Q96RI1 1/20 0.50
SELL P14151 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL6691956 0.87 KMT2A (0.51) HPSEKMT2AMEN1MAPTNPC1
SCHEMBL6688407 0.85 KMT2A (0.55) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL6380798 0.84 MAPT (0.56) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL11628251 0.83 EPHX1 (0.60) HPSEKMT2AMEN1MAPTLMNA
SCHEMBL6690073 0.83 KMT2A (0.56) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL6690076 0.83 KMT2A (0.57) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL11630238 0.82 HPSE (0.62) HPSEKMT2AMEN1MAPTNPC1
SCHEMBL6692719 0.82 KMT2A (0.56) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL30557308 0.82 HPSE (0.78) HPSEKMT2AMEN1MAPTNPC1
SCHEMBL6136003 0.82 HPSE (0.78) HPSEKMT2AMEN1MAPTNPC1

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
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