SCHEMBL13151982

SCHEMBL13151982

CCNC(=O)Nc1ccc(-c2c(N)c3ccc(OCC)cc3n2CC2CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.42
SRC P12931 1/20 0.42
KCNH2 Q12809 1/20 0.42
CNR2 P34972 2/20 0.41
MAPT P10636 6/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
THRB P10828 2/20 0.39
ICMT O60725 1/20 0.39
LMNA P02545 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
JAK1 P23458 1/20 0.38
NSD2 O96028 1/20 0.38
DOT1L Q8TEK3 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
SCHEMBL14467116 0.94 NSD2 (0.43) KDRTP53HPGDSRCKCNH2
SCHEMBL13152447 0.93 HPGD (0.45) KDRTP53HPGDSRCKCNH2
SCHEMBL10097432 0.91 MAPT (0.45) KDRTP53HPGDSRCKCNH2
SCHEMBL10251510 0.89 KDR (0.39) KDRTP53SRCMAPTALDH1A1
SCHEMBL10097620 0.89 ALDH1A1 (0.43) TP53HPGDSRCKCNH2CNR2
SCHEMBL10097465 0.89 RAB9A (0.57) KDRTP53MAPTMEN1KMT2A
SCHEMBL13151807 0.88 TP53 (0.47) TP53HPGDSRCKCNH2CNR2
SCHEMBL12950382 0.88 MAPT (0.42) KDRTP53HPGDMAPTALDH1A1
SCHEMBL10096424 0.88 NSD2 (0.43) KDRTP53HPGDSRCKCNH2
SCHEMBL13152378 0.87 MEN1 (0.43) TP53HPGDSRCKCNH2CNR2

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-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed