SCHEMBL7843904

SCHEMBL7843904

O=C(O)Cn1cnc2c(Cl)nc(NC(=O)OCc3ccccc3)nc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
YTHDC1 Q96MU7 1/20 0.41
P2RX7 Q99572 1/20 0.41
ACHE P22303 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
SCHEMBL7852208 0.88 HDAC1 (0.43) HDAC1HDAC2NPC1RAB9APOLB
SCHEMBL3818243 0.88 RAB9A (0.41) SCDSMN1; SMN2NPC1RAB9APOLB
SCHEMBL14477481 0.84 RAB9A (0.46) SMN1; SMN2NPC1RAB9AYTHDC1P2RX7
SCHEMBL14309812 0.83 TSHR (0.43) SMN1; SMN2HDAC1HDAC2NPC1RAB9A
SCHEMBL5048124 0.80 MAP3K5 (0.40) SCDSMN1; SMN2NPC1RAB9APOLB
SCHEMBL434582 0.79 CDK1 (0.43) HDAC1HDAC2NPC1RAB9APOLB
SCHEMBL8538543 0.79 HDAC1 (0.52) HDAC1HDAC2YTHDC1P2RX7
SCHEMBL10077237 0.78 RAB9A (0.40) SCDNPC1RAB9APOLB
SCHEMBL3139870 0.78 MEN1 (0.48)
SCHEMBL3130095 0.78 TDP1 (0.48) SMN1; SMN2HDAC1HDAC2NPC1RAB9A

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
EP-1085020-A1 Synthesis of modified diaminopurines and their incorporation into oligomers DAKO A/S (DK) 2001-03-21 EP disclosed