SCHEMBL8394171

SCHEMBL8394171

NC(=Nc1cccc(CCC(=O)Nc2ccccc2)c1)N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
HTT P42858 1/20 0.51
GAA P10253 3/20 0.51
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
SIGMAR1 Q99720 1/20 0.47
NAMPT P43490 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
RAB9A P51151 1/20 0.44
ALOX15 P16050 1/20 0.44
SLC2A1 P11166 1/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
BLM P54132 1/20 0.43

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
Bromide SCHEMBL8396198 0.99 MAPT (0.50) MAPTHTTGAANPC1SMN1; SMN2
SCHEMBL8395565 0.94 MAPT (0.57) MAPTHTTGAANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL8392015 0.93 MAPT (0.56) MAPTHTTGAANPC1SMN1; SMN2
SCHEMBL8392846 0.88 MAPT (0.55) MAPTHTTGAANPC1SMN1; SMN2
Bromide SCHEMBL8397244 0.87 MAPT (0.53) MAPTHTTGAANPC1SMN1; SMN2
SCHEMBL8394220 0.81 KDM1A (0.51) MAPTHTTGAANPC1SMN1; SMN2
SCHEMBL8392120 0.81 SMN1; SMN2 (0.46) MAPTNPC1SMN1; SMN2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8393849 0.80 SMN1; SMN2 (0.45) MAPTNPC1SMN1; SMN2ALDH1A1SIGMAR1
SCHEMBL8394991 0.78 ALDH1A1 (0.51) MAPTHTTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL8392641 0.78 RAB9A (0.48) MAPTHTTGAANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690851-B1 GUANIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AB (SE) 1999-05-19 EP claimed
US-5885985-A Guanidine derivatives useful in therapy ASTRA AKTIEBOLAG (SE) 1999-03-23 US claimed
EP-0690851-A1 GUANIDINE DERIVATIVES USEFUL IN THERAPY Astra Aktiebolag (SE) 1996-01-10 EP claimed
WO-1994021621-A1 GUANIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AKTIEBOLAG (SE) 1994-09-29 WO claimed