SCHEMBL12470976

SCHEMBL12470976

CCN(CC)c1cccc(C)c1.CN(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 1/20 0.50
RAB9A P51151 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
NPC1 O15118 2/20 0.45
NSD2 O96028 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
THRB P10828 2/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
S100B P04271 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
GFER P55789 1/20 0.40
MAPT P10636 4/20 0.40

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
Diethylaniline SCHEMBL9174326 0.93 TSHR (0.47) ALDH1A1CYP3A4RAB9AMEN1KMT2A
SCHEMBL30565134 0.89 ALDH1A1 (0.61) ALDH1A1CYP3A4MEN1KMT2ATDP1
SCHEMBL457496 0.89 ALDH1A1 (0.61) ALDH1A1CYP3A4MEN1KMT2ATDP1
Lithium Ion SCHEMBL19732664 0.87 ALDH1A1 (0.59) ALDH1A1CYP3A4MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL8958612 0.87 ALDH1A1 (0.59) ALDH1A1CYP3A4MEN1KMT2ATDP1
SCHEMBL21065767 0.87 ALDH1A1 (0.59) ALDH1A1CYP3A4MEN1KMT2ATDP1
Diethylaniline SCHEMBL6907129 0.82 TSHR (0.59) ALDH1A1CYP3A4RAB9AMEN1KMT2A
SCHEMBL14283563 0.81 ALDH1A1 (0.53) ALDH1A1CYP3A4MEN1KMT2ATDP1
Diethylaniline SCHEMBL8678375 0.81 TSHR (0.58) ALDH1A1CYP3A4RAB9AMEN1KMT2A
SCHEMBL9365623 0.81 ALDH1A1 (0.52) ALDH1A1CYP3A4RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160041151-A1 COMPOSITIONS AND METHODS FOR MONITORING OXALATE NATIONAL INSTITUTES OF HEALTH 2016-02-11 US disclosed
US-9045794-B2 Compositions and methods for monitoring oxalate UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-06-02 US disclosed
EP-2673374-A2 COMPOSITIONS ADN METHODS FOR MONITORING OXALATE University of Florida Research Foundation, Inc. (US) 2013-12-18 EP disclosed
US-20130330760-A1 COMPOSITIONS AND METHODS FOR MONITORING OXALATE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2013-12-12 US disclosed
WO-2012109258-A2 COMPOSITIONS ADN METHODS FOR MONITORING OXALATE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-08-16 WO disclosed