SCHEMBL11652002

SCHEMBL11652002

O=C(Nc1ccccc1)Nc1sc(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.69
KDM4E B2RXH2 3/20 0.69
ALDH1A1 P00352 2/20 0.69
NTRK1 P04629 5/20 0.62
KMT2A Q03164 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
TP53 P04637 1/20 0.50
EPHX1 P07099 1/20 0.50
TSHR P16473 1/20 0.50
EPHX2 P34913 1/20 0.50
CDK9 P50750 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 1/20 0.50
ADORA3 P0DMS8 2/20 0.49
CDK5 Q00535 1/20 0.49

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
SCHEMBL8823062 0.92 MAPT (0.64) MAPTKDM4EALDH1A1NTRK1KMT2A
SCHEMBL4268936 0.84 KDM4E (0.77) MAPTKDM4EALDH1A1NTRK1KMT2A
SCHEMBL11648787 0.84 NTRK1 (0.89) MAPTKDM4EALDH1A1NTRK1KMT2A
SCHEMBL14148384 0.82 KDM4E (0.73) MAPTKDM4EALDH1A1NTRK1KMT2A
SCHEMBL11646356 0.81 NTRK1 (0.60) MAPTKDM4EALDH1A1NTRK1KMT2A
SCHEMBL4738310 0.81 ALDH1A1 (0.71) MAPTKDM4EALDH1A1NTRK1KMT2A
SCHEMBL14148528 0.78 KDM4E (0.68) MAPTKDM4EALDH1A1NTRK1KMT2A
SCHEMBL6436174 0.78 MAPT (0.58) MAPTKDM4EALDH1A1KMT2ANPSR1
SCHEMBL14148621 0.78 ALDH1A1 (0.72) MAPTKDM4EALDH1A1KMT2ANPSR1
SCHEMBL16595137 0.77 NTRK1 (1.00) MAPTKDM4EALDH1A1NTRK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4113731-A PHOTOGRAPHIC EMULSION STABILIZERS GRUPPO LEPETIT S.P.A. (IT) 1978-09-12 US disclosed