SCHEMBL7313398

SCHEMBL7313398

CCN(CC)CCCn1nc(C)c2c(N)nc(-c3ccncc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
RAD52 P43351 1/20 0.42
SMARCA2 P51531 1/20 0.42
KMT2A Q03164 1/20 0.42
UHRF1 Q96T88 1/20 0.42
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
LATS1 O95835 1/20 0.35
HPGD P15428 3/20 0.34
CSNK1D P48730 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
RICTOR Q6R327 1/20 0.34
RPTOR Q8N122 1/20 0.34
MAPKAP1 Q9BPZ7 1/20 0.34
MLST8 Q9BVC4 1/20 0.34
TNK2 Q07912 1/20 0.34
ALDH1A1 P00352 3/20 0.33

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
SCHEMBL7312745 0.75 HPGD (0.45) HPGDCSNK1DALDH1A1HSD17B10MAPK1
SCHEMBL7319490 0.73 MEN1 (0.46) KMT2AHPGDCSNK1DPIK3CAMTOR
SCHEMBL7316090 0.67 HPGD (0.38) HPGDCSNK1DKDM4E
SCHEMBL7316083 0.66 KDM4E (0.46) HPGDPIK3CAMTORALDH1A1HSD17B10
SCHEMBL8987525 0.64 MAPK13 (0.38) POLBRAD52SMARCA2KMT2AUHRF1
SCHEMBL7308816 0.62 KDR (0.39) HPGDPIK3CAMTORALDH1A1HSD17B10
SCHEMBL29056666 0.61 DRD3 (0.68) POLBKMT2AHPGDALDH1A1KDM4E
SCHEMBL31194631 0.61 ADORA3 (0.48) POLBKMT2AKDM4EMAPK1
SCHEMBL10369151 0.60 SLC6A4 (0.47) POLBRAD52SMARCA2KMT2AUHRF1
SCHEMBL10367589 0.60 TOP2A (0.39) POLBRAD52KMT2AUHRF1KDM4E

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
US-5541187-A HYPOTENSIVE AGENTS STERLING WINTHROP INC. (US) 1996-07-30 US disclosed
US-5294612-A Hypotensive agents and cardiovascular disorders STERLING WINTHROP INC. (US) 1994-03-15 US disclosed