SCHEMBL5512243

SCHEMBL5512243

CCCn1nnc(-c2cccc(I)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TRPV1 Q8NER1 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 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
SCHEMBL4180507 0.82 MAPK1 (0.44) MAPK1SMN1; SMN2RAB9ANPC1
SCHEMBL4405908 0.80 RAB9A (0.61) L3MBTL1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL4179964 0.77 MAPK1 (0.43) MAPK1MAPTL3MBTL1TRPV1SMN1; SMN2
SCHEMBL12394470 0.74 ALDH1A1 (0.63) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL4265054 0.72 SMN1; SMN2 (0.69) L3MBTL1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL4411938 0.71 RAB9A (0.57) L3MBTL1RAB9ANPC1ALDH1A1CYP1A2
SCHEMBL5503548 0.71 KMT2A (0.54) SMN1; SMN2LMNATSHR
SCHEMBL17678911 0.71 TRPV1 (0.43) TRPV1ALDH1A1LMNATSHR
SCHEMBL13947396 0.70 SMN1; SMN2 (0.54) MAPK1L3MBTL1SMN1; SMN2RAB9ANPC1
SCHEMBL4403796 0.70 RAB9A (0.56) L3MBTL1TRPV1RAB9ACYP1A2CYP2C19

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
EP-1828162-A1 TETRAZOLYL-METHYLENE AMINO ACID DERIVATIVES Warner-Lambert Company LLC (US) 2007-09-05 EP disclosed
WO-2006061706-A1 TETRAZOLYL-METHYLENE AMINO ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2006-06-15 WO disclosed