SCHEMBL6690073

SCHEMBL6690073

O=C(NCCCl)Nc1cccc(CCO)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 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
TRPV1 Q8NER1 1/20 0.55
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
CNR1 P21554 5/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KDM4E B2RXH2 1/20 0.49
EPHX1 P07099 1/20 0.49
CA12 O43570 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
SCHEMBL6690861 0.92 KMT2A (0.57) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL6691686 0.91 KMT2A (0.56) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL6689821 0.89 KMT2A (0.55) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL6688083 0.89 KMT2A (0.55) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL6690836 0.89 KMT2A (0.55) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL6688407 0.88 KMT2A (0.55) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL6380798 0.84 MAPT (0.56) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL6688013 0.84 EPHX1 (0.61) KMT2AMEN1MAPTTRPV1LMNA
SCHEMBL6693475 0.83 HPSE (0.59) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL6693126 0.83 KMT2A (0.50) KMT2AMEN1MAPTNPC1RAB9A

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-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
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