SCHEMBL5603848

SCHEMBL5603848

c1ccc(-c2ccc(CNc3nnn[nH]3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
FFAR1 O14842 3/20 0.42
XDH P47989 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
RAB9A P51151 3/20 0.40
TP53 P04637 1/20 0.40
HIF1A Q16665 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL6632277 0.90 SMN1; SMN2 (0.49) ALDH1A1XDHSMN1; SMN2HSD17B10RAB9A
Hydrochloric Acid SCHEMBL4064447 0.88 SMN1; SMN2 (0.47) ALDH1A1XDHSMN1; SMN2HSD17B10RAB9A
Biphenyl SCHEMBL28349298 0.74 XDH (0.40) ALDH1A1XDHRAB9A
Hydrochloric Acid SCHEMBL6791179 0.72 L3MBTL1 (0.50) ALDH1A1SMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL9204216 0.72 ELANE (0.43) HTT
SCHEMBL8210477 0.71 NR1H2 (0.45) ALDH1A1HDAC6RAB9A
SCHEMBL9798992 0.69 FFAR1 (0.68) FFAR1HDAC1FFAR4RAB9AHIF1A
SCHEMBL19006636 0.69 FFAR1 (0.73) ALDH1A1FFAR1FFAR4KMT2AMEN1
SCHEMBL15416993 0.69 RAB9A (0.82) ALDH1A1XDHSMN1; SMN2HSD17B10HDAC6
SCHEMBL3788576 0.69 POLB (0.55) SMN1; SMN2RAB9AKMT2AMEN1LMNA

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
WO-2007069271-A2 PROCESS FOR THE PURIFICATION OF (S) -N- (L-CARBOXY-2-METHYL-PROP-1-YL) -N-PENTANOYL-N- [2' - (1H-TETRAZ0L-5-YL) BIPHENY L-4 -YLMETHYL] -AMINE (VALSARTAN) ALEMBIC LIMITED (IN) 2007-06-21 WO disclosed
WO-2005049587-A1 PROCESS FOR PREPARATION OF BIPHENYL TETRAZOLE RANBAXY LABORATORIES LIMITED (IN) 2005-06-02 WO disclosed