SCHEMBL7972341

SCHEMBL7972341

NCCNCCNC(=O)c1ccccc1I

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.44
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
HCRTR1 O43613 1/20 0.42
MAOB P27338 1/20 0.42
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX5 P09917 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
Hydrochloric Acid SCHEMBL7970618 0.98 MEN1 (0.45) TSHRHTTMEN1KMT2ATDP1
SCHEMBL13667371 0.90 MEN1 (0.51) TSHRHTTMEN1KMT2ATDP1
SCHEMBL11418358 0.89 HTT (0.58) TSHRHTTKDM4EHCRTR1MAOB
SCHEMBL7972337 0.83 MEN1 (0.45) TSHRHTTMEN1KMT2ATDP1
SCHEMBL14135615 0.83 KMT2A (0.54) TSHRHTTKMT2AKDM4ENPC1
SCHEMBL11407944 0.83 TSHR (0.59) TSHRHTTMEN1KMT2AKDM4E
SCHEMBL14095067 0.83 KMT2A (0.54) TSHRHTTKMT2AKDM4ENPC1
SCHEMBL11411958 0.83 TSHR (0.59) TSHRHTTMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL7970613 0.82 MEN1 (0.44) TSHRHTTMEN1KMT2ATDP1
SCHEMBL772204 0.78 ALDH1A1 (0.54) TSHRHTTMEN1KMT2ATDP1

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