SCHEMBL28494641

SCHEMBL28494641

N=C(N=C(N)N1CCC(F)(F)C1)Nc1ccc(I)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
EPHX2 P34913 3/20 0.35
MAPT P10636 1/20 0.34
NPY5R Q15761 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CHRNA7 P36544 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
CHRM2 P08172 1/20 0.31

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
SCHEMBL28496363 0.93 HTT (0.34) EPHX2MAPTNPC1RAB9AHTT
SCHEMBL28488686 0.83 HTT (0.43) EPHX2MAPTNPY5RNPC1RAB9A
SCHEMBL28487668 0.83 TRPV1 (0.45) EPHX2TRPV1
Hydrochloric Acid SCHEMBL28499778 0.82 HTT (0.42) EPHX2MAPTNPY5RNPC1RAB9A
SCHEMBL28509027 0.81 MAPT (0.46) MAPTHTTLMNAHPGDTSHR
Hydrochloric Acid SCHEMBL28489288 0.80 MAPT (0.45) MAPTHTTLMNAHPGDTSHR
SCHEMBL18197780 0.80 NAMPT (0.34) NAMPTEPHX2MAPTNPC1RAB9A
SCHEMBL28491264 0.80 EPHX2 (0.34) EPHX2
SCHEMBL21832067 0.79 L3MBTL1 (0.47) MAPTLMNASMN1; SMN2NPSR1MEN1
SCHEMBL28496390 0.77 LMNA (0.39) NAMPTMAPTNPY5RLMNAHPGD

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
CN-107635963-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2020-11-20 CN claimed
CN-107635963-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2020-11-20 CN disclosed