SCHEMBL6155

SCHEMBL6155

CC(C)(c1ccccc1)n1nnc(-c2ccccc2C=O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM5 P41594 2/20 0.37
XDH P47989 1/20 0.35
AGTR1 P30556 1/20 0.35
KCNN4 O15554 1/20 0.34
ABCG2 Q9UNQ0 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
P2RX7 Q99572 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9033772 0.86 AGTR1 (0.41) POLBSMN1; SMN2GRM5XDHAGTR1
SCHEMBL6188044 0.86 GRM5 (0.39) POLBSMN1; SMN2GRM5XDHKCNN4
SCHEMBL7352872 0.82 ABCG2 (0.41) POLBSMN1; SMN2XDHAGTR1ABCG2
SCHEMBL4888374 0.80 POLB (0.39) POLBSMN1; SMN2ABCG2NPC1RAB9A
SCHEMBL3393694 0.79 RAB9A (0.47) POLBSMN1; SMN2ABCG2NPC1RAB9A
SCHEMBL7348668 0.79 POLB (0.40) POLBSMN1; SMN2GRM5XDHAGTR1
SCHEMBL6156586 0.78 POLB (0.47) POLBSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL7346198 0.77 NPSR1 (0.50) POLBSMN1; SMN2GRM5KCNN4ABCG2
SCHEMBL4617609 0.76 SMN1; SMN2 (0.56) POLBSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL7772778 0.76 ABCG2 (0.44) POLBSMN1; SMN2AGTR1ABCG2NPC1

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-5849911-A Antivirally active heterocyclic azahexane derivatives NOVARTIS FINANCE CORPORATION (US) 1998-12-15 US disclosed