SCHEMBL8724820

SCHEMBL8724820

O=C(CCCN(CCCl)CCCl)OCCNC(=O)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
CYP3A4 P08684 2/20 0.58
MEN1 O00255 2/20 0.58
CYP1A2 P05177 1/20 0.58
USP2 O75604 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
PKM P14618 1/20 0.53
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RXFP1 Q9HBX9 2/20 0.48
GAA P10253 1/20 0.48
EPHX2 P34913 1/20 0.47

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
SCHEMBL21946074 0.80 KMT2A (0.66) KMT2ACYP3A4MEN1CYP1A2USP2
SCHEMBL62325 0.79 EPHX2 (0.72) KMT2ACYP3A4MEN1CYP1A2USP2
SCHEMBL7378553 0.76 KMT2A (0.78) KMT2ACYP3A4MEN1CYP1A2USP2
SCHEMBL29447171 0.75 USP2 (0.80) KMT2ACYP3A4MEN1CYP1A2USP2
SCHEMBL24064599 0.75 KMT2A (0.58) KMT2ACYP3A4MEN1CYP1A2USP2
SCHEMBL10602313 0.75 SREBF2 (0.74) KMT2ACYP3A4MEN1CYP1A2USP2
SCHEMBL15592358 0.75 KMT2A (0.58) KMT2ACYP3A4MEN1CYP1A2USP2
SCHEMBL15592299 0.75 CYP1A2 (0.66) KMT2ACYP3A4MEN1CYP1A2USP2
SCHEMBL4869581 0.75 THRB (0.68) KMT2ACYP3A4MEN1CYP1A2USP2
SCHEMBL10597560 0.74 SREBF2 (0.61) KMT2ACYP3A4MEN1CYP1A2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335545-B2 Pharmaceutical formulations for parenteral use UNIV FLORIDA (US) 1998-09-23 EP disclosed
EP-0327766-B1 Redox systems for brain-targeted drug delivery UNIV FLORIDA (US) 1998-04-08 EP disclosed
US-5024998-A Administering in aqueous solution with cyclodextrin derivative UNIVERSITY OF FLORIDA (US) 1991-06-18 US disclosed
US-5002935-A Inclusion Complexing Hydroxypropylcyclodextrin with a Dihydropyridine-substituted Drug UNIVERSITY OF FLORIDA (US) 1991-03-26 US disclosed
US-4983586-A Decreasing precipitation at injection site or in lungs or other organs by combining with hydroxypropyl-beta-cyclodextrin UNIVERSITY OF FLORIDA (US) 1991-01-08 US disclosed
EP-0335545-A2 Pharmaceutical formulations for parenteral use UNIVERSITY OF FLORIDA (US) 1989-10-04 EP disclosed
EP-0327766-A2 Redox systems for brain-targeted drug delivery UNIVERSITY OF FLORIDA (US) 1989-08-16 EP disclosed