SCHEMBL777068

SCHEMBL777068

O=C(Nc1ccc2ccccc2c1NC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
KCNJ11 Q14654 7/20 0.61
ABCC9 O60706 1/20 0.49
ABCC8 Q09428 1/20 0.49
KCNJ8 Q15842 1/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 1/20 0.49
MDM4 O15151 1/20 0.49
TP53 P04637 1/20 0.49
HDAC3 O15379 1/20 0.49
MAPK1 P28482 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL777051 0.86 NPC1 (0.54) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL9400456 0.83 NPC1 (0.68) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL28599674 0.82 NPC1 (0.66) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL11116162 0.81 CYP1A2 (0.46) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL29124158 0.81 CYP1A2 (0.59) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL4642544 0.81 NPC1 (1.00) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL30184438 0.81 NPC1 (1.00) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL29512053 0.78 NPC1 (0.60) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL9197662 0.78 CYP1A2 (0.65) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL30237970 0.77 MEN1 (0.60) NPC1RAB9ACYP1A2CYP3A4CYP2D6

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-8673998-B2 Polymer compositions with improved cold flow BRIDGESTONE CORPORATION (JP) 2014-03-18 US disclosed
US-20120071583-A1 POLYMER COMPOSITIONS WITH IMPROVED COLD FLOW BRIDGESTONE CORPORATION (JP) 2012-03-22 US disclosed