SCHEMBL6692401

SCHEMBL6692401

O=C(NCCCl)Nc1ccc(CCCCO)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.57
S1PR1 P21453 1/20 0.54
KDM4E B2RXH2 2/20 0.54
EPHX1 P07099 1/20 0.54
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FPR2 P25090 1/20 0.48

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
SCHEMBL6690275 0.99 S1PR1 (0.56) CNR1S1PR1KDM4EEPHX1KMT2A
SCHEMBL6689486 0.95 CNR1 (0.59) CNR1S1PR1KDM4EEPHX1KMT2A
SCHEMBL8866696 0.89 CNR1 (0.62) CNR1KDM4EEPHX1NPC1RAB9A
SCHEMBL6690890 0.88 CNR1 (0.57) CNR1S1PR1KDM4EEPHX1KMT2A
SCHEMBL6692988 0.87 S1PR1 (0.71) CNR1S1PR1KDM4EEPHX1KMT2A
SCHEMBL6693566 0.86 S1PR1 (0.74) CNR1S1PR1EPHX1ALDH1A1
SCHEMBL6692687 0.86 S1PR1 (0.74) CNR1S1PR1EPHX1ALDH1A1
SCHEMBL6691078 0.86 S1PR1 (0.74) CNR1S1PR1EPHX1ALDH1A1
SCHEMBL6693150 0.86 S1PR1 (0.74) CNR1S1PR1EPHX1ALDH1A1
SCHEMBL6693240 0.86 S1PR1 (0.74) CNR1S1PR1EPHX1ALDH1A1

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 4 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-5750547-A Certain carbanate anti-cancer agents UNIVERSITE LAVAL (CA) 1998-05-12 US disclosed
US-5530026-A WITHOUT SYSTEMIC TOXICITY AND MUTAGENICITY UNIVERSITE LAVAL (CA) 1996-06-25 US disclosed