SCHEMBL14577832

SCHEMBL14577832

CCCN(C(N)=O)c1cccc(C)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
PAX8 Q06710 2/20 0.55
GPX4 P36969 2/20 0.55
TP53 P04637 2/20 0.55
JAK2 O60674 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 3/20 0.46
THRB P10828 1/20 0.46
PARP1 P09874 1/20 0.43
POLQ O75417 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL11651430 0.91 RAB9A (0.63) ALDH1A1RAB9ANPC1PAX8GPX4
SCHEMBL2058713 0.87 RAB9A (0.48) ALDH1A1RAB9ANPC1PAX8GPX4
SCHEMBL25751661 0.87 POLQ (0.51) ALDH1A1RAB9ANPC1PAX8GPX4
SCHEMBL27897093 0.86 RAB9A (0.53) ALDH1A1RAB9ANPC1PAX8GPX4
SCHEMBL6695002 0.85 ALDH1A1 (0.56) ALDH1A1RAB9ANPC1PAX8GPX4
SCHEMBL378758 0.85 RAB9A (0.56) ALDH1A1RAB9ANPC1PAX8GPX4
SCHEMBL7711085 0.83 ALDH1A1 (0.53) ALDH1A1RAB9ANPC1PAX8GPX4
SCHEMBL3944199 0.82 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1PAX8GPX4
SCHEMBL6261729 0.81 TP53 (0.58) ALDH1A1RAB9ANPC1PAX8TP53
SCHEMBL13061841 0.81 RAB9A (0.54) ALDH1A1RAB9ANPC1PAX8GPX4

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
US-7172867-B2 Methods of testing for allergic diseases, and therapeutic agents for treating same GENOX RESEARCH, INC. (JP) 2007-02-06 US disclosed
US-7172867-B2 Methods of testing for allergic diseases, and therapeutic agents for treating same GENOX RESEARCH, INC. (JP) 2007-02-06 US disclosed