SCHEMBL7972337

SCHEMBL7972337

NC(=O)CNCCNC(=O)c1ccccc1I

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HCRTR1 O43613 1/20 0.41
KDM4E B2RXH2 2/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
Hydrochloric Acid SCHEMBL7970613 0.98 MEN1 (0.44) MEN1KMT2ATDP1TSHRHTT
SCHEMBL11325406 0.85 KMT2A (0.51) MEN1KMT2ATDP1TSHRHTT
SCHEMBL8814831 0.85 KMT2A (0.51) MEN1KMT2ATDP1TSHRHTT
SCHEMBL7972341 0.83 TSHR (0.46) MEN1KMT2ATDP1TSHRHTT
Hydrochloric Acid SCHEMBL7970618 0.82 MEN1 (0.45) MEN1KMT2ATDP1TSHRHTT
SCHEMBL13667371 0.79 MEN1 (0.51) MEN1KMT2ATDP1TSHRHTT
SCHEMBL7974111 0.78 LMNA (0.57) KMT2AHPGDALDH1A1NPC1RAB9A
SCHEMBL772204 0.77 ALDH1A1 (0.54) MEN1KMT2ATDP1TSHRHTT
Hydrochloric Acid SCHEMBL7974167 0.76 LMNA (0.56) KMT2AHPGDALDH1A1NPC1RAB9A
SCHEMBL7960865 0.76 HDAC1 (0.56) MEN1KMT2AHPGDALDH1A1NPC1

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
WO-2001055109-A1 AROMATIC AMIDES ACTING ON MELANOCORTIN RECEPTORS MELACURE THERAPEUTICS AB (SE) 2001-08-02 WO claimed