SCHEMBL7909562

SCHEMBL7909562

CCCc1nn(C)c(N)c1N

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
PDE5A O76074 1/20 0.34
MAPT P10636 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MTOR P42345 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HEXA P06865 1/20 0.31
HEXB P07686 1/20 0.31
POLB P06746 1/20 0.31
TERT O14746 2/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4857472 0.82 GAA (0.63) GAAUSP2MAPTPOLB
SCHEMBL1803754 0.78 GAA (0.44) GAAMAPT
SCHEMBL1803885 0.77 GAA (0.47) GAAMAPTPOLB
SCHEMBL33938 0.76 GAA (0.45) GAAMAPTPOLB
SCHEMBL31194464 0.75 MAPK1 (0.49) GAASMN1; SMN2USP2MAPK1RECQL
SCHEMBL617 0.74 SMN1; SMN2 (0.61) GAASMN1; SMN2MAPTLMNANPC1
SCHEMBL5875816 0.74 SMN1; SMN2 (0.50) GAASMN1; SMN2PDE5AMAPTTDP1
SCHEMBL3450535 0.74 SMN1; SMN2 (0.50) GAASMN1; SMN2USP2MAPTLMNA
SCHEMBL1802418 0.72 GAA (0.42) GAAMAPT
Hydrochloric Acid SCHEMBL7813040 0.72 SMN1; SMN2 (0.60) GAASMN1; SMN2MAPTLMNANPC1

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
US-6204383-B1 REACTING SIDENAFIL PRECURSOR HAVING REACTIVE FUNCTIONALIZED HYDROXY WITH METHYLAMINE,TREATING REACTION AQUEOUS MEDIUM OF ACIDIC PH CAUSING PHASE SHIFT INTO THE AQUEOUS PHASE TORCAN CHEMICAL LTD. (CA) 2001-03-20 US disclosed