SCHEMBL6688083

SCHEMBL6688083

O=C(NCCCl)Nc1cccc(CCCCCO)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
MEN1 O00255 4/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
ALDH1A1 P00352 2/20 0.55
TP53 P04637 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
EPHX1 P07099 4/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CNR1 P21554 5/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TRPV1 Q8NER1 2/20 0.46

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
SCHEMBL6689821 1.00 KMT2A (0.55) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL6690836 1.00 KMT2A (0.55) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL6691686 0.99 KMT2A (0.56) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL6690861 0.95 KMT2A (0.57) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL6690073 0.89 KMT2A (0.56) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL6691753 0.89 EPHX1 (0.63) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL6689121 0.89 EPHX1 (0.63) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL6693231 0.88 KMT2A (0.53) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL6692719 0.88 KMT2A (0.56) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL6690371 0.87 KMT2A (0.46) KMT2AMEN1LMNAHTTALDH1A1

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